⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28869748 | 0.78 | — | — | |
| SCHEMBL24071120 | 0.73 | MAPT (0.43) | — | |
| Hydrochloric Acid SCHEMBL28869755 | 0.71 | TDP1 (0.47) | — | |
| SCHEMBL1538924 | 0.69 | GABRA1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL18172055 | 0.68 | GAA (0.46) | — | |
| SCHEMBL18047921 | 0.67 | RECQL (0.40) | — | |
| SCHEMBL31375597 | 0.67 | GAA (0.48) | — | |
| SCHEMBL11570570 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL21876511 | 0.65 | LMNA (0.43) | — | |
| Hydrochloric Acid SCHEMBL28856221 | 0.65 | L3MBTL1 (0.43) | — |
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-114195716-A | N1-aryl-3-fluoroalkyl-4-cyanopyrazole compound, preparation method and application | 天津大学 | 2022-03-18 | — | — | CN | disclosed |