⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12977685 | 1.00 | — | — | |
| SCHEMBL18691949 | 1.00 | — | — | |
| SCHEMBL14435389 | 1.00 | — | — | |
| SCHEMBL9355181 | 1.00 | — | — | |
| SCHEMBL10530193 | 1.00 | — | — | |
| SCHEMBL12977684 | 1.00 | — | — | |
| SCHEMBL14435387 | 1.00 | — | — | |
| SCHEMBL9351253 | 1.00 | — | — | |
| SCHEMBL10530198 | 1.00 | — | — | |
| SCHEMBL9355177 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180312458-A1 | METHOD F0R THE PURIFICATION OF CYCLOHEXADEC-8-EN-1-ONE | BASF SE (DE) | 2018-11-01 | — | — | US | disclosed |
| US-20180290959-A1 | USE OF NOVEL MIXTURES OF (E/Z) CYCLOPENTADECENONE ISOMERS, THE PRODUCTION AND USE THEREOF AS FLAVORING SUBSTANCE | BASF SE (DE) | 2018-10-11 | — | — | US | disclosed |