⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21810568 | 0.81 | — | — | |
| SCHEMBL8722777 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL29038652 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL22372425 | 0.77 | — | — | |
| SCHEMBL21194949 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL16344015 | 0.73 | — | — | |
| SCHEMBL6283826 | 0.72 | — | — | |
| SCHEMBL5314961 | 0.71 | — | — | |
| SCHEMBL22735041 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL29038650 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3587403-B1 | N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE | WEST CHINA HOSPITAL SICHUAN UNIV (CN) | 2023-08-23 | — | — | EP | disclosed |
| US-11208385-B2 | N-substituted imidazole carboxylate compound, preparation method and use | WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) | 2021-12-28 | — | — | US | disclosed |
| US-20200231546-A1 | N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE | WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) | 2020-07-23 | — | — | US | disclosed |