⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11114934 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL582974 | 0.77 | HPGD (0.34) | — | |
| SCHEMBL16915208 | 0.75 | ACHE (0.36) | — | |
| SCHEMBL1507770 | 0.75 | — | — | |
| SCHEMBL8979083 | 0.75 | — | — | |
| SCHEMBL23099880 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL30906668 | 0.75 | — | — | |
| SCHEMBL11276174 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL22289292 | 0.71 | NOTUM (0.39) | — | |
| SCHEMBL22162367 | 0.71 | HTR2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114555585-A | HPK1 inhibitors and uses thereof | 上海齐鲁锐格医药研发有限公司 | 2022-05-27 | — | — | CN | disclosed |
| WO-2021000935-A1 | HPK1 INHIBITORS AND USES THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2021-01-07 | — | — | WO | disclosed |