⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5450882 | 0.95 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL5449893 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL5445990 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5448664 | 0.88 | ALDH1A1 (0.30) | — | |
| Bromide SCHEMBL5442832 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5439916 | 0.83 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5457256 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL5441442 | 0.74 | — | — | |
| SCHEMBL5441368 | 0.74 | — | — | |
| SCHEMBL5447619 | 0.72 | KDM4E (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | claimed |
| EP-1658297-A1 | IMIDAZOLIUM SALTS THAT CAN BE IMMOBILIZED | MERCK PATENT GmbH (DE) | 2006-05-24 | — | — | EP | claimed |
| WO-2005016940-A1 | IMIDAZOLIUM SALTS THAT CAN BE IMMOBILIZED | MERCK PATENT GMBH (DE) | 2005-02-24 | — | — | WO | claimed |
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | disclosed |