⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8450453 | 0.96 | ESR2 (0.31) | — | |
| SCHEMBL8451756 | 0.96 | ESR2 (0.31) | — | |
| SCHEMBL8447499 | 0.96 | ESR2 (0.31) | — | |
| SCHEMBL8453016 | 0.94 | ESR2 (0.30) | — | |
| SCHEMBL16521128 | 0.93 | — | — | |
| SCHEMBL8446766 | 0.92 | S1PR1 (0.32) | — | |
| SCHEMBL8446746 | 0.91 | S1PR1 (0.33) | — | |
| SCHEMBL13614918 | 0.90 | OPRM1 (0.31) | — | |
| SCHEMBL8447773 | 0.88 | — | — | |
| SCHEMBL6458125 | 0.88 | — | — |
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-0647696-B1 | Cyclohexane derivative | CHISSO CORP (JP) | 1999-04-21 | — | — | EP | disclosed |
| EP-0647696-A1 | Cyclohexane derivative | Chisso Corporation (JP) | 1995-04-12 | — | — | EP | disclosed |
| US-5382379-A | Cyclohexane derivative | CHISSO CORPORATION (JP) | 1995-01-17 | — | — | US | disclosed |