⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3345941 | 0.81 | — | — | |
| SCHEMBL8201407 | 0.81 | — | — | |
| SCHEMBL7373104 | 0.81 | — | — | |
| SCHEMBL4423508 | 0.79 | — | — | |
| SCHEMBL10703920 | 0.79 | — | — | |
| SCHEMBL17963058 | 0.78 | — | — | |
| SCHEMBL3925231 | 0.78 | CYP2C9 (0.31) | — | |
| SCHEMBL4428325 | 0.76 | — | — | |
| SCHEMBL10077299 | 0.73 | — | — | |
| SCHEMBL5709793 | 0.73 | HTT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020228596-A1 | SUBSTITUTED FLUORINE-CONTAINING IMIDAZOLE SALT COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 厦门华绰生物医药科技有限公司 | 2020-11-19 | — | — | WO | disclosed |
| EP-3608312-A1 | SUBSTITUTED IMIDAZOLE SALT COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | Xiamen Vivohealths Technology Co., Ltd. (CN) | 2020-02-12 | — | — | EP | disclosed |
| US-20140350244-A1 | FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS | AMGEN INC (US) | 2014-11-27 | — | — | US | disclosed |