⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20241134 | 0.78 | CYP19A1 (0.39) | — | |
| SCHEMBL4762763 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL3043600 | 0.76 | — | — | |
| 1-Nitrosocyclohexyl Trifluoroacetate SCHEMBL2266585 | 0.75 | — | — | |
| SCHEMBL6831867 | 0.75 | — | — | |
| SCHEMBL3100761 | 0.74 | — | — | |
| SCHEMBL5082389 | 0.74 | GRM2 (0.35) | — | |
| SCHEMBL14743995 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL14811340 | 0.74 | CYP19A1 (0.30) | — | |
| SCHEMBL20898651 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63054331-A | — | — | None | — | — | JP | disclosed |
| JP-63054332-A | — | — | None | — | — | JP | disclosed |
| JP-63044536-A | — | — | None | — | — | JP | disclosed |
| WO-2008132128-A2 | SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND | Solvay (Société Anonyme) (BE) | 2008-11-06 | — | — | WO | disclosed |
| EP-1985603-A1 | Process for preparing difluorocyclohexanoic acid derivatives | SOLVAY (Société Anonyme) (BE) | 2008-10-29 | — | — | EP | disclosed |
| JP-S6354331-A | PRODUCTION OF 1,1-DIFLUOROCYCLOHEXANE | ASAHI CHEM IND CO LTD | 1988-03-08 | — | — | JP | disclosed |
| JP-S6354332-A | PRODUCTION OF FLUOROBENZENE | ASAHI CHEM IND CO LTD | 1988-03-08 | — | — | JP | disclosed |
| JP-S6344536-A | PRODUCTION OF 1,1-DIFLUOROCYCLOHEXANE | ASAHI CHEM IND CO LTD | 1988-02-25 | — | — | JP | disclosed |