⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24954070 | 0.78 | PARP1 (0.31) | — | |
| SCHEMBL14843025 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL12634805 | 0.68 | PDE10A (0.40) | — | |
| SCHEMBL1069076 | 0.68 | KDM4E (0.41) | — | |
| SCHEMBL3106221 | 0.68 | MAPK1 (0.44) | — | |
| SCHEMBL28654615 | 0.67 | HTR2A (0.35) | — | |
| SCHEMBL17476960 | 0.66 | MEN1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL30321390 | 0.65 | HTR2A (0.34) | — | |
| SCHEMBL24954133 | 0.65 | PARP1 (0.39) | — | |
| SCHEMBL15920978 | 0.65 | PDE4B (0.33) | — |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |