⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28091087 | 0.73 | PPARG (0.33) | — | |
| SCHEMBL28091103 | 0.67 | PDE5A (0.43) | — | |
| SCHEMBL29353535 | 0.64 | ERN1 (0.57) | — | |
| SCHEMBL285148 | 0.64 | ERN1 (0.57) | — | |
| SCHEMBL27987006 | 0.64 | ERN1 (0.57) | — | |
| Chloroform SCHEMBL28636650 | 0.62 | ERN1 (0.50) | — | |
| SCHEMBL29210 | 0.61 | GAA (0.65) | — | |
| SCHEMBL25687186 | 0.60 | — | — | |
| SCHEMBL17262069 | 0.60 | GABRA1 (0.52) | — | |
| SCHEMBL253259 | 0.59 | GABRA1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801425-A | Synthetic method of 5-methyl-1-(3,5-dibromophenyl)-1-hexene | 常州大学 | 2016-07-27 | — | — | CN | disclosed |