Use cases
The molecules the literature can't help with.
Novel targets with no published route, labelled compounds, impurities, metabolites, and the reactions that don't behave. You describe the job in plain English. Ryniant plans it.
Each of these is a real job a CRO gets, the plain-English brief a chemist would give, and what Ryniant returns.
Use case 1
A novel target with no route to copy
The brief
"Plan a route to this target. There is no published synthesis. Optimize for convergence and starting materials I can actually source."
Ryniant reasons out the disconnection strategy first, then builds and validates the route around it. It comes back with a few ranked, checked routes built on sourceable reagents, so your chemist is refining rather than starting from a blank page.
Two disconnections locked. Convergent tree built beneath them.
Use case 2
A labelled compound (¹⁴C, ³H, deuterium)
The brief
"Plan a carbon-14 route. Introduce the label in the last two steps, on a carbon retained in the core, from a commercial ¹⁴C synthon. Keep radiochemical yield high and no chromatography on the hot intermediates."
Ryniant plans the whole route around the labelling strategy from the first disconnection. It picks a label position retained through metabolism, routes the isotope in late from a commercial synthon like potassium cyanide carried to the carbonyl, and flags steps that would generate volatile radioactivity. The same logic covers tritium and deuteration.
¹⁴C at the carbonyl carbon · retained in the core
Use case 3
Impurities and reference standards
The brief
"Synthesize the des-methyl process impurity of this API, the regioisomer formed during the alkylation. Reference standard, over 98% purity, an unambiguous route to that single isomer, 100 mg."
Ryniant plans a route that gives the one target isomer cleanly rather than a mixture to separate, and cites precedent for the selective step. Built for the purity and single-isomer certainty a reference standard needs.
One N-methyl defines the impurity. One isomer, not a mixture.
Use case 4
Metabolites
The brief
"Make the major human oxidative metabolite, the para-hydroxy metabolite seen in hepatocytes. Install the hydroxyl regioselectively and confirm the stereochemistry matches the reported metabolite."
Ryniant plans a route that installs the modification at the right position with the right stereochemistry, protecting-group strategy where needed, so the standard matches the characterized metabolite.
OH installed regioselectively at the para position
Use case 5
Know which conditions will fire (from your own ELN)
The brief
"For this amide coupling on a hindered aniline, which conditions should I run?"
Ryniant reads your own notebook, including the reactions that failed, retrieves the closest past reactions, and tells you which conditions your history supports and which to skip, citing the exact entries. You start with the two that worked before, not five run blind.
Cited from your notebook, failures included
Use case 6
A series, not one molecule
The brief
"I have twenty analogs to make on the same quinazoline core with different amines at the 4-position. Plan around a common advanced intermediate that diversifies as late as possible, and tell me which amines are commercial."
Ryniant plans a shared sequence to a common late intermediate, so all analogs come off one route with a final diversifying step, and flags which building blocks are commercial versus made in-house.
One common intermediate. Diversify at the last step.
Also handles
Process and scale-up routes
No chromatography, crystalline intermediates, purgeable metals, no cryogenics.
Cost-constrained routes
Commercial building blocks only, under a price, no sole-sourced starting materials.
Green routes
Avoid ICH class 1 and 2 solvents, minimize PMI.
Metal-free endgames
Residual-metal-sensitive APIs.
Route to a client-ready quote
Bill of materials, sourcing, labor, quote off the same route.