⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6428899 | 0.85 | KMT2A (0.30) | — | |
| SCHEMBL87312 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL3769129 | 0.82 | PIK3CD (0.34) | — | |
| SCHEMBL4366079 | 0.82 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.80 | CYP3A4 (0.31) | — | |
| Water SCHEMBL29258023 | 0.80 | PIK3CD (0.33) | — | |
| Bromide SCHEMBL1045354 | 0.80 | CYP3A4 (0.31) | — | |
| Iodide SCHEMBL2341578 | 0.80 | CYP3A4 (0.31) | — | |
| Bromide SCHEMBL3052220 | 0.80 | PIK3CD (0.33) | — | |
| SCHEMBL2690793 | 0.77 | — | — |
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-1721900-B1 | NOVEL IMIDAZOLIUM COMPOUND | KANTO KAGAKU (JP) | 2014-06-11 | — | — | EP | disclosed |
| US-7517999-B2 | needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2009-04-14 | — | — | US | disclosed |
| US-20070191612-A1 | Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide | HIROYUKI OHNO (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1721900-A1 | NOVEL IMIDAZOLIUM COMPOUND | Kanto Kagaku Kabushiki Kaisha (JP) | 2006-11-15 | — | — | EP | disclosed |