⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4859465 | 1.00 | — | — | |
| SCHEMBL3389299 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL4855702 | 0.92 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL3395031 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL4857974 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL30869357 | 0.90 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL30869358 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL4849215 | 0.89 | — | — | |
| SCHEMBL1277148 | 0.86 | DNM1 (0.31) | — | |
| SCHEMBL4853793 | 0.84 | DNM1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7411092-B2 | Quaternary ammonium salts | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2008-08-12 | — | — | US | disclosed |
| US-20060166103-A1 | Quaternary ammonium salts | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1595863-A1 | QUATERNARY AMMONIUM SALTS | KOEI CHEMICAL CO., LTD. (JP) | 2005-11-16 | — | — | EP | disclosed |