⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6200906 | 0.75 | — | — | |
| SCHEMBL3940349 | 0.75 | DAO (0.31) | — | |
| SCHEMBL15709893 | 0.70 | PTGS2 (0.41) | — | |
| SCHEMBL4770397 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL134816 | 0.70 | PTGS2 (0.41) | — | |
| SCHEMBL771242 | 0.70 | PTGS2 (0.41) | — | |
| SCHEMBL17785186 | 0.70 | PTGS2 (0.41) | — | |
| SCHEMBL28841090 | 0.70 | PTGS2 (0.41) | — | |
| SCHEMBL937881 | 0.69 | NPC1 (0.37) | — | |
| SCHEMBL14839942 | 0.69 | PTGS2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6319948-B2 | PREVENTION AND/OR MINIMIZATION OF SURGICAL ADHESION FORMATION BY ADMINISTERING CERTAIN SUBSTITUTED (5,6)-DIHYDRONAPHTHALENYL COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2001-11-20 | — | — | US | disclosed |
| US-20010003780-A1 | Retinoid antagonists and uses thereof | TRAMPOSCH KENNETH M (US) | 2001-06-14 | — | — | US | disclosed |
| WO-1998046228-A1 | RETINOID ANTAGONISTS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |