⚠ 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 | |
|---|---|---|---|---|
| Pyrazole SCHEMBL5664483 | 0.90 | — | — | |
| Pyrazole SCHEMBL30626480 | 0.90 | — | — | |
| Pyrazole SCHEMBL30854861 | 0.90 | — | — | |
| Pyrazole SCHEMBL1384 | 0.90 | — | — | |
| Pyrazole SCHEMBL7671561 | 0.90 | — | — | |
| Pyrazole SCHEMBL18227431 | 0.88 | — | — | |
| Pyrazole SCHEMBL4051311 | 0.88 | — | — | |
| Pyrazole SCHEMBL19358601 | 0.88 | — | — | |
| Pyrazole SCHEMBL23387532 | 0.87 | — | — | |
| Pyrazole SCHEMBL1800516 | 0.87 | — | — |
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-106065087-A | Flame retardant flame retardant composition and molded body and manufacturing method thereof | 双键化工（上海）有限公司 | 2016-11-02 | — | — | CN | disclosed |