⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19288029 | 0.59 | — | — | |
| SCHEMBL13278651 | 0.59 | — | — | |
| SCHEMBL181649 | 0.59 | — | — | |
| SCHEMBL13278640 | 0.59 | — | — | |
| N-Nitrosodimethylamine SCHEMBL686 | 0.56 | — | — | |
| N-Nitrosodimethylamine SCHEMBL4637228 | 0.56 | ALDH1A1 (1.00) | — | |
| SCHEMBL770520 | 0.56 | — | — | |
| SCHEMBL120206 | 0.56 | — | — | |
| SCHEMBL13428497 | 0.56 | — | — | |
| SCHEMBL18455720 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1499457-A4 | METHODS OF SIMULTANEOUSLY CLEANING AND DISINFECTING INDUSTRIAL WATER SYSTEMS | NALCO CO (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1499457-A1 | METHODS OF SIMULTANEOUSLY CLEANING AND DISINFECTING INDUSTRIAL WATER SYSTEMS | Nalco Company (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003092919-A1 | METHODS OF SIMULTANEOUSLY CLEANING AND DISINFECTING INDUSTRIAL WATER SYSTEMS | NALCO COMPANY (US) | 2003-11-13 | — | — | WO | disclosed |