⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23849540 | 1.00 | — | — | |
| SCHEMBL3018862 | 1.00 | — | — | |
| SCHEMBL3014558 | 0.75 | — | — | |
| SCHEMBL23849538 | 0.75 | — | — | |
| SCHEMBL3014555 | 0.75 | — | — | |
| SCHEMBL1269878 | 0.67 | RXRA (0.31) | — | |
| SCHEMBL11147799 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL24534611 | 0.61 | — | — | |
| Methyl Alcohol SCHEMBL16568700 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL3019242 | 0.60 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3112338-B1 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2021-09-29 | — | — | EP | claimed |
| EP-3112338-A2 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2017-01-04 | — | — | EP | claimed |
| US-8691746-B2 | Cyclohexene derivatives and their use as odorants | GIVAUDAN SA (CH) | 2014-04-08 | — | — | US | claimed |
| US-8304380-B2 | Cyclohexene derivatives and their use as odorants | GIVAUDAN SA (CH) | 2012-11-06 | — | — | US | claimed |
| EP-3112338-B1 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2021-09-29 | — | — | EP | disclosed |
| EP-3112338-A2 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2017-01-04 | — | — | EP | disclosed |
| US-8691746-B2 | Cyclohexene derivatives and their use as odorants | GIVAUDAN SA (CH) | 2014-04-08 | — | — | US | disclosed |
| US-20130035278-A1 | Cyclohexene Derivatives and Their Use as Odorants | GIVAUDAN SA (CH) | 2013-02-07 | — | — | US | disclosed |
| US-8304380-B2 | Cyclohexene derivatives and their use as odorants | GIVAUDAN SA (CH) | 2012-11-06 | — | — | US | disclosed |
| US-20100204084-A1 | Cyclohexene Derivatives and Their Use as Odorants | GIVAUDAN SA (CH) | 2010-08-12 | — | — | US | disclosed |
| EP-2188242-A2 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009021342-A2 | CYCLOHEXENE DERIVATIVES AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2009-02-19 | — | — | WO | disclosed |