⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29060206 | 1.00 | — | — | |
| SCHEMBL30007990 | 0.70 | PDE4A (0.34) | — | |
| SCHEMBL29060307 | 0.70 | PDE4A (0.34) | — | |
| SCHEMBL30008167 | 0.69 | NPC1 (0.32) | — | |
| SCHEMBL29060208 | 0.69 | NPC1 (0.32) | — | |
| SCHEMBL17460766 | 0.64 | PDK2 (0.34) | — | |
| SCHEMBL29060203 | 0.64 | LPL (0.33) | — | |
| SCHEMBL30007966 | 0.64 | LPL (0.33) | — | |
| SCHEMBL15922604 | 0.64 | ALOX5AP (0.34) | — | |
| SCHEMBL623032 | 0.62 | MKNK1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237825-A1 | AZAARYL DERIVATIVE WITH EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-11-17 | — | — | WO | disclosed |