⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104919 | 0.89 | ADRB1 (0.33) | — | |
| SCHEMBL3888868 | 0.89 | ADRB1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2422010 | 0.87 | HPGD (0.33) | — | |
| SCHEMBL22375421 | 0.87 | HIF1A (0.35) | — | |
| Bromide SCHEMBL4160212 | 0.87 | ADRB1 (0.32) | — | |
| SCHEMBL14805909 | 0.87 | HIF1A (0.35) | — | |
| SCHEMBL25753249 | 0.85 | — | — | |
| Methylamine SCHEMBL11757130 | 0.84 | GRIN2D (0.34) | — | |
| SCHEMBL17662342 | 0.81 | PHGDH (0.35) | — | |
| SCHEMBL18999427 | 0.80 | CA2 (0.38) | — |
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-10683278-B2 | Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof | SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) | 2020-06-16 | — | — | US | disclosed |