⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13683073 | 0.77 | — | — | |
| SCHEMBL17290365 | 0.72 | NPSR1 (0.32) | — | |
| SCHEMBL14044114 | 0.72 | — | — | |
| SCHEMBL10563854 | 0.70 | POLB (0.35) | — | |
| SCHEMBL15741153 | 0.61 | HTR2C (0.36) | — | |
| SCHEMBL38661121 | 0.59 | — | — | |
| SCHEMBL676815 | 0.59 | — | — | |
| SCHEMBL11631859 | 0.59 | GAA (0.32) | — | |
| SCHEMBL9779253 | 0.58 | — | — | |
| SCHEMBL38661126 | 0.58 | — | — |
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 2 patents. 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 | claimed |
| 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 |