⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23229339 | 0.77 | DYRK1A (0.36) | — | |
| SCHEMBL2110629 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL24284149 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL5793827 | 0.69 | DYRK1A (0.31) | — | |
| SCHEMBL29870786 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL29792794 | 0.67 | KDM4E (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28316942 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL23111908 | 0.63 | NPSR1 (0.42) | — | |
| SCHEMBL22746514 | 0.63 | KDM4E (0.41) | — | |
| SCHEMBL5251534 | 0.63 | CYP1A2 (0.46) | — |
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-2022042331-A1 | HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-03-03 | — | — | WO | disclosed |