⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1845885 | 0.70 | — | — | |
| SCHEMBL2806267 | 0.67 | — | — | |
| SCHEMBL13596355 | 0.67 | — | — | |
| SCHEMBL5271218 | 0.67 | — | — | |
| SCHEMBL874415 | 0.61 | — | — | |
| Chloromethane SCHEMBL28923039 | 0.57 | — | — | |
| SCHEMBL1955841 | 0.53 | — | — | |
| SCHEMBL13429237 | 0.53 | — | — | |
| SCHEMBL2803311 | 0.53 | — | — | |
| SCHEMBL294441 | 0.53 | — | — |
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-113135856-B | 3-trifluoromethyl-5-cyanopyrazole compounds and preparation method thereof | 天津大学 | 2022-10-11 | — | — | CN | claimed |
| CN-113135856-B | 3-trifluoromethyl-5-cyanopyrazole compounds and preparation method thereof | 天津大学 | 2022-10-11 | — | — | CN | disclosed |