⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24776196 | 0.81 | TYK2 (0.33) | — | |
| SCHEMBL24823032 | 0.81 | FYN (0.32) | — | |
| SCHEMBL29947259 | 0.80 | FYN (0.33) | — | |
| SCHEMBL30079510 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL24822793 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL24776105 | 0.80 | FYN (0.33) | — | |
| SCHEMBL30079478 | 0.77 | PTGS2 (0.36) | — | |
| SCHEMBL24823040 | 0.77 | PTGS2 (0.36) | — | |
| SCHEMBL24822798 | 0.76 | TYK2 (0.31) | — | |
| SCHEMBL24823882 | 0.74 | KDM4E (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794912-A | Substituted heterocyclic compounds | 百时美施贵宝公司 | 2024-03-29 | — | — | CN | disclosed |
| EP-4337655-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | Bristol-Myers Squibb Company (US) | 2024-03-20 | — | — | EP | disclosed |
| US-20220411384-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-29 | — | — | US | disclosed |
| WO-2022241171-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-11-17 | — | — | WO | disclosed |