⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860595 | 0.72 | — | — | |
| SCHEMBL21251299 | 0.68 | — | — | |
| SCHEMBL2028613 | 0.65 | — | — | |
| SCHEMBL20704421 | 0.63 | GRIA1 (0.33) | — | |
| SCHEMBL19964543 | 0.63 | — | — | |
| SCHEMBL142961 | 0.58 | CYP3A4 (0.41) | — | |
| SCHEMBL3869269 | 0.57 | GABRA1 (0.36) | — | |
| SCHEMBL3867534 | 0.55 | NQO2 (0.32) | — | |
| SCHEMBL23121804 | 0.54 | TYR (0.42) | — | |
| SCHEMBL24569275 | 0.54 | PIK3CD (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3524602-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2019-08-14 | — | — | EP | disclosed |
| WO-2018045971-A1 | PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发有限公司 | 2018-03-15 | — | — | WO | disclosed |