⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2772433 | 1.00 | — | — | |
| SCHEMBL2773520 | 1.00 | — | — | |
| SCHEMBL2772439 | 1.00 | — | — | |
| SCHEMBL2773517 | 1.00 | — | — | |
| SCHEMBL2772006 | 1.00 | — | — | |
| SCHEMBL2777983 | 0.78 | FUCA1 (0.31) | — | |
| SCHEMBL1613043 | 0.76 | POLB (0.31) | — | |
| SCHEMBL2772139 | 0.76 | POLB (0.31) | — | |
| SCHEMBL2772142 | 0.76 | POLB (0.31) | — | |
| SCHEMBL1613039 | 0.76 | POLB (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7812195-B2 | Cyclohexenyl butenones and fragrance compositions comprising them | GIVAUDAN SA (CH) | 2010-10-12 | — | — | US | claimed |
| US-20100016197-A1 | Cyclohexenyl Butenones and Fragrance Compositions Comprising Them | GIVAUDAN SA (CH) | 2010-01-21 | — | — | US | claimed |
| EP-2094359-A1 | CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM | Givaudan SA (CH) | 2009-09-02 | — | — | EP | claimed |
| WO-2008071026-A1 | CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM | GIVAUDAN SA (CH) | 2008-06-19 | — | — | WO | claimed |
| US-7812195-B2 | Cyclohexenyl butenones and fragrance compositions comprising them | GIVAUDAN SA (CH) | 2010-10-12 | — | — | US | disclosed |
| US-20100016197-A1 | Cyclohexenyl Butenones and Fragrance Compositions Comprising Them | GIVAUDAN SA (CH) | 2010-01-21 | — | — | US | disclosed |
| EP-2094359-A1 | CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM | Givaudan SA (CH) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008071026-A1 | CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM | GIVAUDAN SA (CH) | 2008-06-19 | — | — | WO | disclosed |