⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7791235 | 0.84 | NLRP3 (0.38) | — | |
| SCHEMBL6354472 | 0.82 | — | — | |
| SCHEMBL7871538 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL23199076 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL22065351 | 0.81 | — | — | |
| SCHEMBL7871528 | 0.79 | CYP2C19 (0.35) | — | |
| SCHEMBL8975702 | 0.78 | NLRP3 (0.43) | — | |
| SCHEMBL16659676 | 0.76 | HMGCR (0.33) | — | |
| SCHEMBL13484191 | 0.75 | MAOA (0.31) | — | |
| SCHEMBL10769645 | 0.70 | ELANE (0.35) | — |
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-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | claimed |