⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10154248 | 0.84 | — | — | |
| Methylamine SCHEMBL27305489 | 0.76 | NOS3 (0.45) | — | |
| SCHEMBL2642602 | 0.75 | — | — | |
| SCHEMBL52699 | 0.75 | — | — | |
| SCHEMBL6438413 | 0.75 | — | — | |
| SCHEMBL23352117 | 0.75 | CYP1A2 (0.38) | — | |
| SCHEMBL6440092 | 0.75 | — | — | |
| SCHEMBL6592881 | 0.75 | — | — | |
| SCHEMBL13532217 | 0.75 | — | — | |
| SCHEMBL1523518 | 0.75 | — | — |
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-0967265-B1 | Disubstituted cycloalkanones as fragrance materials | TAKASAGO INTERNAT CORP USA (US) | 2005-08-17 | — | — | EP | disclosed |
| US-6548474-B1 | 2-cylopentylidenecyclopentan-1-one, 2-cyclohexylidenecyclohexan-1-one, 2-cyclopentylidenecyclohexan-1-one, 2-cyclohexylidenecyclopentan-1-one and derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2003-04-15 | — | — | US | disclosed |
| EP-0967265-A2 | Disubstituted cycloalkanones as fragrance materials | Takasago Institute For Interdisciplinary Science Inc. (US) | 1999-12-29 | — | — | EP | disclosed |