⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28056142 | 0.84 | EP300 (0.37) | — | |
| SCHEMBL11119936 | 0.83 | PPARG (0.38) | — | |
| SCHEMBL16672441 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL16298606 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL9919 | 0.66 | — | — | |
| SCHEMBL11826869 | 0.66 | — | — | |
| SCHEMBL5556524 | 0.66 | NAAA (0.47) | — | |
| SCHEMBL2564975 | 0.66 | NAAA (0.47) | — | |
| SCHEMBL23499849 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL7875936 | 0.65 | — | — |
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-114829442-A | Polyurea copolymers | 巴斯夫欧洲公司 | 2022-07-29 | — | — | CN | disclosed |