⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4953851 | 0.83 | PTPN1 (0.31) | — | |
| SCHEMBL6402023 | 0.79 | LMNA (0.46) | — | |
| SCHEMBL23767683 | 0.79 | — | — | |
| SCHEMBL17905870 | 0.78 | — | — | |
| SCHEMBL18231548 | 0.75 | HIF1A (0.33) | — | |
| SCHEMBL12026420 | 0.74 | KDM5B (0.37) | — | |
| SCHEMBL4582309 | 0.71 | PTPN1 (0.32) | — | |
| SCHEMBL29744503 | 0.71 | PTPN1 (0.32) | — | |
| SCHEMBL21945926 | 0.70 | GABBR1 (0.31) | — | |
| SCHEMBL14530586 | 0.70 | PTPN1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2036876-B1 | ALCOHOL COMPOUNDS | KAO CORP (JP) | 2012-08-08 | — | — | EP | disclosed |
| US-7642385-B2 | Perfumes; scent of lily of the valley; 4-isopropyl-1-methyl-1-hydroxymethylcyclohexane, where there is unsaturation either at the isopropyl group, or in the cyclohexane ring e.g. 4-isopropenyl-1-methyl-1-hydroxymethylcyclohexane; low cost starting material; no woody scent limiting its applications | KAO CORPORATION (JP) | 2010-01-05 | — | — | US | disclosed |
| US-20090182177-A1 | ALCOHOL COMPOUNDS | KAO CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-2036876-A1 | ALCOHOL COMPOUNDS | Kao Corporation (JP) | 2009-03-18 | — | — | EP | disclosed |