⚠ 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 | |
|---|---|---|---|---|
| 1-Methylimidazole SCHEMBL2024283 | 1.00 | — | — | |
| 1-Methylimidazole SCHEMBL1458248 | 1.00 | — | — | |
| 1-Methylimidazole SCHEMBL20505615 | 0.97 | — | — | |
| 1-Methylimidazole SCHEMBL2452372 | 0.97 | — | — | |
| 1-Methylimidazole SCHEMBL4954973 | 0.97 | — | — | |
| 1-Methylimidazole SCHEMBL20112 | 0.97 | — | — | |
| 1-Methylimidazole SCHEMBL9244221 | 0.97 | NFKB1 (1.00) | — | |
| 1-Methylimidazole SCHEMBL2482761 | 0.94 | NFKB1 (0.83) | — | |
| 1-Methylimidazole SCHEMBL8045610 | 0.94 | NFKB1 (0.94) | — | |
| 1-Methylimidazole SCHEMBL35921 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3322527-A1 | METHOD FOR PREPARING BIOSOURCED IONIC LIQUIDS FOR CATALYSIS | Université de Bourgogne (FR) | 2018-05-23 | — | — | EP | disclosed |