⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18874334 | 0.86 | — | — | |
| SCHEMBL20146629 | 0.73 | OPRM1 (0.34) | — | |
| SCHEMBL23977000 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL22931693 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL18437031 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL20733036 | 0.58 | PTPN1 (0.30) | — | |
| SCHEMBL23764419 | 0.57 | KCNA5 (0.33) | — | |
| SCHEMBL20385081 | 0.57 | MEN1 (0.52) | — | |
| SCHEMBL22931682 | 0.57 | MEN1 (0.52) | — | |
| Benzene SCHEMBL14537401 | 0.57 | MEN1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3168250-B1 | FLUORINE-ATOM-CONTAINING POLYMER AND USE THEREOF | NISSAN CHEMICAL CORP (JP) | 2020-02-26 | — | — | EP | disclosed |