⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28835973 | 0.90 | EPHX1 (0.32) | — | |
| SCHEMBL8231827 | 0.87 | EPHX1 (0.36) | — | |
| SCHEMBL28835987 | 0.84 | — | — | |
| SCHEMBL28952845 | 0.77 | — | — | |
| SCHEMBL28835975 | 0.75 | — | — | |
| SCHEMBL28836004 | 0.75 | EPHX1 (0.30) | — | |
| SCHEMBL3297381 | 0.74 | — | — | |
| SCHEMBL28835996 | 0.74 | EPHX1 (0.33) | — | |
| SCHEMBL6634835 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL4559906 | 0.69 | — | — |
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-114989142-A | Preparation method of pyrazole compound | 沈阳万菱生物技术有限公司 | 2022-09-02 | — | — | CN | disclosed |