⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1900319 | 0.84 | — | — | |
| SCHEMBL669050 | 0.84 | — | — | |
| SCHEMBL23613 | 0.84 | — | — | |
| SCHEMBL168758 | 0.84 | — | — | |
| SCHEMBL27744522 | 0.81 | — | — | |
| Water SCHEMBL28122586 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28904849 | 0.81 | — | — | |
| SCHEMBL27496697 | 0.81 | — | — | |
| Bicarbonate SCHEMBL4353698 | 0.79 | ALDH1A1 (0.44) | — | |
| Carbon Dioxide SCHEMBL27523988 | 0.79 | — | — |
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-101454362-A | Flameproof copolymer and flame retardant thermoplastic resin composition using thereof | CHEIL IND INC (KR) | 2009-06-10 | — | — | CN | disclosed |