⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1396679 | 1.00 | — | — | |
| SCHEMBL6870723 | 1.00 | — | — | |
| SCHEMBL1397235 | 1.00 | — | — | |
| SCHEMBL25254474 | 0.89 | IDH1 (0.31) | — | |
| SCHEMBL5050135 | 0.87 | — | — | |
| SCHEMBL3375353 | 0.85 | MGAM (0.32) | — | |
| SCHEMBL3200798 | 0.85 | IDH1 (0.33) | — | |
| SCHEMBL28643647 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL20606916 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL22122691 | 0.84 | IDO1 (0.30) | — |
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-2200701-B1 | DIMETHYLCYCLOHEXYL DERIVATIVES AS MALODOR NEUTRALIZERS | GIVAUDAN SA (CH) | 2011-03-02 | — | — | EP | disclosed |
| US-RE38659-E1 | Esters with musky odor and their use in perfumery | FIRMENICH SA (CH) | 2004-11-23 | — | — | US | disclosed |
| EP-1047660-B1 | ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY | FIRMENICH & CIE (CH) | 2003-01-29 | — | — | EP | disclosed |
| US-6384269-B1 | SUCH AS 1-(3,3-DIMETHYL-1-CYCLOHEXYL) ETHOXYCARBONYL) METHYL PROPANATE, FOR USE IN SOAPS, BATH AND SHOWER GELS, SHAMPOOS, DEODORANTS, ANTIPERSPIRANTS, AIR FRESHENERS AND DETERGENTS | FIRMENICH SA (CH) | 2002-05-07 | — | — | US | disclosed |