⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2052 | 0.94 | — | — | |
| Iodide SCHEMBL28709938 | 0.89 | — | — | |
| SCHEMBL3709316 | 0.89 | — | — | |
| SCHEMBL6827455 | 0.71 | CYP1A2 (0.42) | — | |
| SCHEMBL5198826 | 0.68 | — | — | |
| SCHEMBL13871558 | 0.65 | — | — | |
| SCHEMBL14299085 | 0.65 | — | — | |
| SCHEMBL18681 | 0.60 | — | — | |
| SCHEMBL3994247 | 0.60 | — | — | |
| SCHEMBL2967637 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858800-B2 | Biaryl derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-12-28 | — | — | US | disclosed |
| US-20070191389-A1 | Biaryl derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1764362-A1 | BIARYL DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-21 | — | — | EP | disclosed |
| EP-0145493-B1 | 11-DIFLUOROMETHYL AND 11-FLUOROMETHYLENE STEROIDS | THE UPJOHN COMPANY (US) | 1989-03-08 | — | — | EP | disclosed |
| US-4557867-A | CONTRACEPTIVES | THE UPJOHN COMPANY (US) | 1985-12-10 | — | — | US | disclosed |
| EP-0145493-A2 | 11-Difluoromethyl and 11-fluoromethylene steroids | THE UPJOHN COMPANY (US) | 1985-06-19 | — | — | EP | disclosed |