⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457270 | 0.74 | — | — | |
| SCHEMBL6393267 | 0.74 | — | — | |
| SCHEMBL15064073 | 0.74 | — | — | |
| SCHEMBL28787194 | 0.74 | — | — | |
| SCHEMBL11372842 | 0.74 | — | — | |
| SCHEMBL261585 | 0.70 | — | — | |
| SCHEMBL28787196 | 0.70 | — | — | |
| SCHEMBL28430928 | 0.65 | ENPP3 (0.32) | — | |
| SCHEMBL6366893 | 0.63 | — | — | |
| SCHEMBL21552644 | 0.63 | AR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114727992-A | Arylmethylene aromatic compounds as Kv1.3 potassium Shaker channel blockers | D·E·萧尔研究有限责任公司 | 2022-07-08 | — | — | CN | disclosed |