⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167844 | 0.78 | — | — | |
| SCHEMBL4566571 | 0.77 | — | — | |
| SCHEMBL176319 | 0.69 | — | — | |
| SCHEMBL11375778 | 0.67 | — | — | |
| SCHEMBL4939824 | 0.65 | — | — | |
| SCHEMBL7766668 | 0.65 | — | — | |
| SCHEMBL7079296 | 0.65 | — | — | |
| SCHEMBL22105 | 0.64 | — | — | |
| SCHEMBL278363 | 0.63 | — | — | |
| Methane SCHEMBL23927285 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1258472-B1 | Quaternary ammonium salts having a tertiary alkyl group | ROHM & HAAS (US) | 2007-10-31 | — | — | EP | disclosed |
| US-6727387-B2 | PHASE TRANSFER CATALYST, MICROBIOCIDES, CORROSION RESISTANCE, ANTISTATIC AGENTS | ROHM AND HAAS COMPANY | 2004-04-27 | — | — | US | disclosed |
| US-20030013769-A1 | Quaternary ammonium salts having a tertiary alkyl group | ROHM AND HAAS COMPANY | 2003-01-16 | — | — | US | disclosed |
| EP-1258472-A2 | Quaternary ammonium salts having a tertiary alkyl group | ROHM AND HAAS COMPANY (US) | 2002-11-20 | — | — | EP | disclosed |