⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4351099 | 0.76 | ADORA3 (0.35) | — | |
| SCHEMBL7526936 | 0.71 | CDK1 (0.35) | — | |
| SCHEMBL842439 | 0.69 | ADORA2A (0.40) | — | |
| SCHEMBL11007134 | 0.68 | — | — | |
| SCHEMBL10912530 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL6153814 | 0.63 | — | — | |
| SCHEMBL3158626 | 0.63 | CHUK (0.36) | — | |
| SCHEMBL442759 | 0.61 | PNP (0.32) | — | |
| SCHEMBL9208924 | 0.60 | — | — | |
| SCHEMBL839588 | 0.57 | XDH (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4558047-A | ANTITUMOR AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-12-10 | — | — | US | disclosed |