⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24490717 | 0.95 | — | — | |
| SCHEMBL22940529 | 0.83 | CYP2D6 (0.32) | — | |
| SCHEMBL9352789 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL8910979 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL13004403 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL17780142 | 0.75 | — | — | |
| Water SCHEMBL28173589 | 0.74 | — | — | |
| Methylamine SCHEMBL13254690 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL1105854 | 0.73 | — | — | |
| SCHEMBL2786503 | 0.73 | — | — |
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-2740738-B1 | PLATINUM COMPOUNDS FOR TREATING CELL PROLIFERATIVE DISEASE, PREPARATION METHODS AND USES THEREOF | BEIJING FSWELCOME TECH DEVELOPMENT CO LTD (CN) | 2018-03-28 | — | — | EP | disclosed |