⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175562 | 0.70 | — | — | |
| SCHEMBL375080 | 0.70 | — | — | |
| SCHEMBL2491424 | 0.68 | — | — | |
| Chloromethane SCHEMBL4098077 | 0.67 | — | — | |
| SCHEMBL2008290 | 0.67 | — | — | |
| SCHEMBL19733213 | 0.67 | — | — | |
| SCHEMBL9209626 | 0.67 | — | — | |
| SCHEMBL4353880 | 0.67 | — | — | |
| SCHEMBL11686186 | 0.67 | — | — | |
| SCHEMBL9209619 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8741157-B2 | Biofouling control | NALCO COMPANY (US) | 2014-06-03 | — | — | US | disclosed |
| US-20080279964-A1 | BIOFOULING CONTROL | ECOLAB USA INC. | 2008-11-13 | — | — | US | disclosed |
| EP-1940225-A1 | BIOFOULING CONTROL | Nalco Company (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007050162-A1 | BIOFOULING CONTROL | NALCO COMPANY (US) | 2007-05-03 | — | — | WO | disclosed |
| US-20070098817-A1 | Biofouling control | NALCO COMPANY | 2007-05-03 | — | — | US | disclosed |