⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5491980 | 1.00 | — | — | |
| SCHEMBL17634340 | 1.00 | — | — | |
| SCHEMBL311380 | 1.00 | — | — | |
| SCHEMBL237110 | 1.00 | — | — | |
| SCHEMBL14008448 | 1.00 | — | — | |
| SCHEMBL23531398 | 1.00 | — | — | |
| SCHEMBL237109 | 1.00 | — | — | |
| SCHEMBL18316485 | 1.00 | — | — | |
| SCHEMBL21530869 | 1.00 | — | — | |
| SCHEMBL17627656 | 1.00 | — | — |
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-1697290-B1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH & CIE (CH) | 2012-09-12 | — | — | EP | claimed |
| EP-1697290-B1 | PROCESS FOR THE ISOMERISATION OF A CYCLOHEXENYL ALKYL OR ALKENYL KETONE | FIRMENICH & CIE (CH) | 2012-09-12 | — | — | EP | disclosed |
| US-7250536-B2 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2007-07-31 | — | — | US | disclosed |
| US-20060211889-A1 | Process for the isomerisation of a cyclohexenyl alkyl or alkenyl ketone | FIRMENICH SA (CH) | 2006-09-21 | — | — | US | disclosed |