⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10940131 | 0.71 | — | — | |
| SCHEMBL31665892 | 0.62 | FFAR3 (0.30) | — | |
| SCHEMBL5599103 | 0.62 | KMT2A (0.49) | — | |
| SCHEMBL1811919 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL1811918 | 0.60 | — | — | |
| SCHEMBL28178695 | 0.60 | FFAR3 (0.38) | — | |
| SCHEMBL27647018 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL28087884 | 0.58 | KDM4E (0.31) | — | |
| SCHEMBL11005542 | 0.57 | SRD5A2 (0.35) | — | |
| SCHEMBL27291893 | 0.57 | KDM4E (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102766009-A | Sulfonated phenols with nitrophenols as polymerization inhibitors | CHEMTURA CORP | 2012-11-07 | — | — | CN | disclosed |
| CN-100564332-C | Sulfonated nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2009-12-02 | — | — | CN | disclosed |
| CN-101044106-A | Sulfonated phenols and nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2007-09-26 | — | — | CN | disclosed |
| CN-101031528-A | Sulfonated nitrophenols as polymerization inhibitors | CHEMTURA CORP (US) | 2007-09-05 | — | — | CN | disclosed |