⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10357693 | 0.78 | HSD11B1 (0.34) | — | |
| SCHEMBL623449 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL623388 | 0.73 | — | — | |
| SCHEMBL622156 | 0.67 | — | — | |
| SCHEMBL622226 | 0.63 | — | — | |
| SCHEMBL10356858 | 0.63 | CYP3A4 (0.31) | — | |
| SCHEMBL17106280 | 0.62 | — | — | |
| SCHEMBL13185572 | 0.62 | — | — | |
| SCHEMBL17106321 | 0.61 | — | — | |
| SCHEMBL15378098 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8999914-B2 | Cyclohexene- and cyclopropanated cyclohexene- derivatives as fragrances | GIVAUDAN S.A. (CH) | 2015-04-07 | — | — | US | claimed |
| EP-2603483-B1 | CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE- DERIVATIVES AS FRAGRANCES | GIVAUDAN SA (CH) | 2015-02-25 | — | — | EP | claimed |
| US-20130303433-A1 | Cyclohexene- And Cyclopropanated Cyclohexene- Derivatives As Fragrances | GIVAUDAN S.A. (CH) | 2013-11-14 | — | — | US | claimed |
| US-8999914-B2 | Cyclohexene- and cyclopropanated cyclohexene- derivatives as fragrances | GIVAUDAN S.A. (CH) | 2015-04-07 | — | — | US | disclosed |
| EP-2603483-B1 | CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE- DERIVATIVES AS FRAGRANCES | GIVAUDAN SA (CH) | 2015-02-25 | — | — | EP | disclosed |
| US-20130303433-A1 | Cyclohexene- And Cyclopropanated Cyclohexene- Derivatives As Fragrances | GIVAUDAN S.A. (CH) | 2013-11-14 | — | — | US | disclosed |
| EP-2603483-A1 | CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES | Givaudan SA (CH) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020076-A1 | CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES | GIVAUDAN SA (CH) | 2012-02-16 | — | — | WO | disclosed |