⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5496582 | 0.74 | — | — | |
| SCHEMBL7202566 | 0.70 | — | — | |
| SCHEMBL7155514 | 0.68 | — | — | |
| SCHEMBL23071435 | 0.66 | — | — | |
| SCHEMBL9668134 | 0.64 | THRA (0.36) | — | |
| SCHEMBL28382310 | 0.63 | CYP3A4 (0.34) | — | |
| SCHEMBL10644991 | 0.63 | CYP3A4 (0.41) | — | |
| SCHEMBL4732999 | 0.62 | GSTP1 (0.35) | — | |
| SCHEMBL4732996 | 0.62 | GSTP1 (0.35) | — | |
| SCHEMBL21055713 | 0.62 | ALDH1A1 (0.34) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697290-B1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH & CIE (CH) | 2012-09-12 | — | — | EP | disclosed |
| CN-100404487-C | Process for isomerizing cyclohexenyl alkyl or alkenyl ketones | FIRMENICH & CIE (CH) | 2008-07-23 | — | — | CN | disclosed |
| US-7250536-B2 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2007-07-31 | — | — | US | disclosed |
| US-7250536-B2 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2007-07-31 | — | — | US | disclosed |
| CN-1890204-A | Process for isomerizing cyclohexenyl alkyl or alkenyl ketones | FIRMENICH & CIE (CH) | 2007-01-03 | — | — | CN | disclosed |
| US-20060211889-A1 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2006-09-21 | — | — | US | disclosed |
| US-20060211889-A1 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2006-09-21 | — | — | US | disclosed |
| EP-1697290-A1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH SA (CH) | 2006-09-06 | — | — | EP | disclosed |
| EP-1697290-A1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH SA (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005061426-A1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH SA (CH) | 2005-07-07 | — | — | WO | disclosed |
| WO-2005061426-A1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH SA (CH) | 2005-07-07 | — | — | WO | disclosed |