⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15608274 | 0.71 | — | — | |
| SCHEMBL7782391 | 0.71 | — | — | |
| SCHEMBL4665781 | 0.65 | — | — | |
| SCHEMBL931350 | 0.63 | — | — | |
| SCHEMBL6533554 | 0.63 | — | — | |
| SCHEMBL6314523 | 0.63 | — | — | |
| SCHEMBL4319882 | 0.56 | — | — | |
| SCHEMBL244934 | 0.56 | — | — | |
| SCHEMBL16551755 | 0.54 | — | — | |
| SCHEMBL5675181 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | disclosed |