⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4820393 | 0.84 | — | — | |
| SCHEMBL30581185 | 0.84 | — | — | |
| SCHEMBL2415 | 0.84 | — | — | |
| SCHEMBL1190178 | 0.84 | — | — | |
| SCHEMBL1332099 | 0.84 | — | — | |
| SCHEMBL30581182 | 0.84 | — | — | |
| SCHEMBL1925147 | 0.84 | ALDH1A1 (0.50) | — | |
| Dimethylformamide SCHEMBL57861 | 0.83 | TSHR (0.60) | — | |
| Formamide SCHEMBL9719665 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL23151913 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117580836-A | Pyrimidine ring structure derivative and application thereof | 四川汇宇制药股份有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-116143708-A | Polysubstituted benzazepine heteroaryl derivative and application thereof | 四川汇宇制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |
| CN-115298182-A | Fused pyrimidine compounds as KCC2 modulators | 阿斯利康(瑞典)有限公司 | 2022-11-04 | — | — | CN | disclosed |