⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1001740 | 0.88 | — | — | |
| SCHEMBL27792118 | 0.80 | — | — | |
| SCHEMBL929043 | 0.79 | — | — | |
| Hydantoin SCHEMBL6900815 | 0.77 | — | — | |
| Hypochlorous Acid SCHEMBL6047066 | 0.77 | — | — | |
| SCHEMBL2790 | 0.72 | POLB (0.30) | — | |
| SCHEMBL123299 | 0.72 | POLB (0.30) | — | |
| SCHEMBL8582234 | 0.71 | — | — | |
| SCHEMBL17535305 | 0.71 | — | — | |
| SCHEMBL3907571 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010096300-A2 | NONAQUEOUS CHLORINE DIOXIDE-GENERATING COMPOSITIONS AND METHODS RELATED THERETO | BASF CATALYSTS LLC (US) | 2010-08-26 | — | — | WO | disclosed |
| US-20100209332-A1 | Nonaqueous Chlorine Dioxide-Generating Compositions and Methods Related Thereto | BASF CATALYSTS LLC (US) | 2010-08-19 | — | — | US | disclosed |