⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13332000 | 0.74 | — | — | |
| SCHEMBL2599238 | 0.71 | — | — | |
| SCHEMBL19809939 | 0.69 | HMGCR (0.34) | — | |
| SCHEMBL622895 | 0.67 | KMT2A (0.45) | — | |
| SCHEMBL19809947 | 0.67 | — | — | |
| SCHEMBL12242758 | 0.66 | — | — | |
| SCHEMBL4706518 | 0.66 | — | — | |
| SCHEMBL15186232 | 0.65 | — | — | |
| SCHEMBL13762292 | 0.65 | — | — | |
| SCHEMBL6015500 | 0.64 | HCAR2 (0.32) | — |
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-115403524-A | Preparation method of 3-fluoro-pyrazole carboxylate and 3-fluoroalkyl-1-substituted pyrazole-4-carboxylic acid | 浙江省化工研究院有限公司 | 2022-11-29 | — | — | CN | disclosed |