⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28704256 | 0.78 | BRD4 (0.32) | — | |
| SCHEMBL27714946 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL27843227 | 0.75 | — | — | |
| SCHEMBL27925554 | 0.71 | — | — | |
| SCHEMBL28189216 | 0.67 | — | — | |
| SCHEMBL27895476 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL27383369 | 0.65 | — | — | |
| SCHEMBL27907458 | 0.64 | — | — | |
| SCHEMBL27699978 | 0.64 | — | — | |
| SCHEMBL27925542 | 0.63 | — | — |
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-115819346-A | Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate | 湖南化工研究院有限公司 | 2023-03-21 | — | — | CN | disclosed |