⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23542097 | 0.80 | PTPN1 (0.31) | — | |
| SCHEMBL19062185 | 0.76 | DRD3 (0.32) | — | |
| SCHEMBL14039947 | 0.75 | — | — | |
| SCHEMBL23542096 | 0.75 | — | — | |
| SCHEMBL27311326 | 0.75 | — | — | |
| SCHEMBL24358516 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL19266629 | 0.69 | NOS3 (0.31) | — | |
| SCHEMBL2534579 | 0.69 | — | — | |
| SCHEMBL26458737 | 0.69 | NOS3 (0.31) | — | |
| SCHEMBL15037813 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763554-B1 | NOVEL SUBSTITUTED CYCLOHEXANE COMPOUNDS | TAKASAGO INT CORP (USA) (US) | 2017-05-03 | — | — | EP | disclosed |