⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9367787 | 0.83 | — | — | |
| SCHEMBL2021022 | 0.82 | — | — | |
| SCHEMBL9367241 | 0.82 | DRD2 (0.45) | — | |
| SCHEMBL9367611 | 0.81 | — | — | |
| SCHEMBL9368439 | 0.80 | DRD2 (0.54) | — | |
| SCHEMBL19823058 | 0.79 | HTR1A (0.46) | — | |
| SCHEMBL9367638 | 0.78 | — | — | |
| SCHEMBL9872091 | 0.73 | HTR1A (0.49) | — | |
| SCHEMBL9200836 | 0.72 | LMNA (0.53) | — | |
| SCHEMBL9367385 | 0.70 | KDM4E (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431579-B1 | Substituted cyclohexenes as central nervous system agents | WARNER LAMBERT CO (US) | 1994-07-27 | — | — | EP | claimed |
| EP-0431579-A2 | Substituted cyclohexenes as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | claimed |
| EP-0431579-B1 | Substituted cyclohexenes as central nervous system agents | WARNER LAMBERT CO (US) | 1994-07-27 | — | — | EP | disclosed |
| EP-0431579-A2 | Substituted cyclohexenes as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4975445-A | Antidepressants | WARNER-LAMBERT COMPANY (US) | 1990-12-04 | — | — | US | disclosed |