⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152391 | 1.00 | — | — | |
| SCHEMBL30854866 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL13279830 | 0.98 | ALDH1A1 (0.34) | — | |
| SCHEMBL28525844 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL16738326 | 0.85 | — | — | |
| SCHEMBL21869866 | 0.84 | — | — | |
| SCHEMBL13243508 | 0.78 | — | — | |
| SCHEMBL22339630 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL28504436 | 0.76 | MKNK1 (0.48) | — | |
| SCHEMBL22031498 | 0.74 | ACHE (0.39) | — |
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-117865996-A | 1-methyl-1H-pyrazole-4-boronic acid-3, 5-diol 13 C 2 Is prepared by the preparation method of (2) | 长沙贝塔医药科技有限公司 | 2024-04-12 | — | — | CN | disclosed |