⚠ 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 SCHEMBL5439268 | 0.94 | CYP11B1 (0.34) | — | |
| Bromide SCHEMBL5439303 | 0.94 | CYP19A1 (0.31) | — | |
| SCHEMBL5442178 | 0.89 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5445948 | 0.87 | KCNH2 (0.36) | — | |
| Bromide SCHEMBL5445820 | 0.83 | CYP19A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5444906 | 0.83 | CYP11B1 (0.33) | — | |
| SCHEMBL12576055 | 0.81 | CYP11B1 (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5446071 | 0.77 | KCNH2 (0.35) | — | |
| SCHEMBL5437549 | 0.74 | — | — | |
| SCHEMBL1886280 | 0.73 | PON1 (0.30) | — |
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 2 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 |
| US-20070021615-A1 | Imidazolium salts that can be immobilized | MERCK PATENT GMBH (DE) | 2007-01-25 | — | — | US | disclosed |