⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL85859 | 0.84 | CHRM2 (0.34) | — | |
| SCHEMBL86171 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL18737181 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL18737193 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL18737180 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL86127 | 0.82 | CHRM2 (0.35) | — | |
| SCHEMBL19806778 | 0.73 | CHRNA7 (0.32) | — | |
| SCHEMBL15828399 | 0.68 | — | — | |
| SCHEMBL29333661 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL19152214 | 0.63 | MAPT (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11731956-B2 | Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors | ALUMIS INC. (US) | 2023-08-22 | — | — | US | disclosed |
| US-20230021554-A1 | TYK2 INHIBITORS AND USES THEREOF | ALUMIS INC. | 2023-01-26 | — | — | US | disclosed |