⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4552340 | 0.83 | — | — | |
| SCHEMBL620151 | 0.82 | — | — | |
| SCHEMBL17722392 | 0.82 | — | — | |
| SCHEMBL6692977 | 0.71 | OPRD1 (0.41) | — | |
| SCHEMBL545962 | 0.71 | ADRA1A (0.39) | — | |
| SCHEMBL327601 | 0.71 | OPRD1 (0.41) | — | |
| SCHEMBL290880 | 0.71 | — | — | |
| SCHEMBL3970107 | 0.71 | OPRD1 (0.41) | — | |
| Bromide SCHEMBL7969410 | 0.69 | OPRD1 (0.40) | — | |
| SCHEMBL617496 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3297988-A1 | CYCLIC QUATERNARY AMMONIUM SALTS AS FUEL OR LUBRICANT ADDITIVES | Innospec Limited (GB) | 2018-03-28 | — | — | EP | disclosed |
| WO-2017017454-A1 | CYCLIC QUATERNARY AMMONIUM SALTS AS FUEL OR LUBRICANT ADDITIVES | INNOSPEC LIMITED (GB) | 2017-02-02 | — | — | WO | disclosed |
| US-5109013-A | 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-04-28 | — | — | US | disclosed |