⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18914853 | 0.84 | — | — | |
| SCHEMBL21363766 | 0.71 | — | — | |
| SCHEMBL22016102 | 0.71 | — | — | |
| SCHEMBL15172493 | 0.71 | — | — | |
| SCHEMBL22333815 | 0.70 | — | — | |
| SCHEMBL20097050 | 0.67 | — | — | |
| SCHEMBL24110919 | 0.65 | — | — | |
| SCHEMBL13291350 | 0.65 | KDM4E (0.45) | — | |
| SCHEMBL19018117 | 0.61 | — | — | |
| SCHEMBL24044931 | 0.60 | CDK1 (0.31) | — |
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-20210032207-A1 | QUINOLONE COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2021-02-04 | — | — | US | disclosed |