⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4612446 | 1.00 | — | — | |
| SCHEMBL1447197 | 0.86 | EP300 (0.52) | — | |
| SCHEMBL29280339 | 0.82 | EP300 (0.64) | — | |
| SCHEMBL29280340 | 0.82 | EP300 (0.64) | — | |
| SCHEMBL28904485 | 0.82 | EP300 (0.64) | — | |
| SCHEMBL8937974 | 0.82 | EP300 (0.64) | — | |
| SCHEMBL6537398 | 0.79 | — | — | |
| SCHEMBL18536 | 0.79 | — | — | |
| SCHEMBL465939 | 0.79 | — | — | |
| Vinyl Chloride SCHEMBL11872914 | 0.79 | EP300 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |