⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23876584 | 0.81 | — | — | |
| SCHEMBL8258247 | 0.70 | — | — | |
| SCHEMBL260629 | 0.70 | — | — | |
| Water SCHEMBL28118741 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3256853 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL28021240 | 0.67 | ALDH1A1 (0.30) | — | |
| Iodide SCHEMBL27951207 | 0.67 | — | — | |
| SCHEMBL13531645 | 0.67 | — | — | |
| SCHEMBL130624 | 0.67 | — | — | |
| Bromide SCHEMBL27510907 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0172656-B1 | POLYMERIC QUATERNARY AMMONIUM SALTS POSSESSING ANTIMICROBIAL ACTIVITY AND METHODS FOR PREPARATION AND USE THEREOF | ANGUS CHEMICAL COMPANY (US) | 1988-12-21 | — | — | EP | claimed |
| EP-0172656-A2 | Polymeric quaternary ammonium salts possessing antimicrobial activity and methods for preparation and use thereof | ANGUS CHEMICAL COMPANY (US) | 1986-02-26 | — | — | EP | claimed |
| US-4567302-A | TRIOXANE AND 2-ALKYL-2-NITRO-1,3-PROPANEDIOL | ANGUS CHEMICAL COMPANY, | 1986-01-28 | — | — | US | claimed |
| EP-0172656-B1 | POLYMERIC QUATERNARY AMMONIUM SALTS POSSESSING ANTIMICROBIAL ACTIVITY AND METHODS FOR PREPARATION AND USE THEREOF | ANGUS CHEMICAL COMPANY (US) | 1988-12-21 | — | — | EP | disclosed |
| EP-0172656-A2 | Polymeric quaternary ammonium salts possessing antimicrobial activity and methods for preparation and use thereof | ANGUS CHEMICAL COMPANY (US) | 1986-02-26 | — | — | EP | disclosed |
| US-4567302-A | TRIOXANE AND 2-ALKYL-2-NITRO-1,3-PROPANEDIOL | ANGUS CHEMICAL COMPANY, | 1986-01-28 | — | — | US | disclosed |