⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL15820304 | 0.90 | CA2 (0.33) | — | |
| Acetic Acid SCHEMBL2943153 | 0.90 | — | — | |
| SCHEMBL2418076 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1527021 | 0.86 | — | — | |
| SCHEMBL3806893 | 0.82 | — | — | |
| SCHEMBL2471131 | 0.80 | KCNH2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL193045 | 0.80 | HRH3 (0.33) | — | |
| Fluoride Ion SCHEMBL5046809 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL8003081 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL5300868 | 0.78 | KCNH2 (0.40) | — |
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-20080191170-A1 | Use of Ionic Liquids | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2008-08-14 | — | — | US | disclosed |
| EP-1804969-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006038013-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |