⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9874339 | 0.85 | — | — | |
| SCHEMBL9773141 | 0.81 | DRD2 (0.31) | — | |
| SCHEMBL9202652 | 0.78 | — | — | |
| SCHEMBL9467917 | 0.73 | — | — | |
| SCHEMBL9200945 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL9202912 | 0.72 | CCR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9741845 | 0.72 | — | — | |
| SCHEMBL9202147 | 0.70 | DRD2 (0.51) | — | |
| SCHEMBL8906794 | 0.70 | — | — | |
| SCHEMBL11828755 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431580-B1 | Substituted cyclohexanols as central nervous system agents | WARNER LAMBERT CO (US) | 1995-03-08 | — | — | EP | disclosed |
| US-5047406-A | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT CO. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0431580-A2 | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |