⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31352568 | 0.88 | BRD4 (0.35) | — | |
| SCHEMBL28030824 | 0.83 | CCNC (0.33) | — | |
| SCHEMBL2031105 | 0.81 | CCNC (0.33) | — | |
| SCHEMBL3143437 | 0.80 | — | — | |
| SCHEMBL14905891 | 0.80 | — | — | |
| SCHEMBL27412666 | 0.78 | — | — | |
| SCHEMBL4062968 | 0.78 | — | — | |
| SCHEMBL2050872 | 0.78 | — | — | |
| SCHEMBL22771465 | 0.78 | — | — | |
| SCHEMBL22791986 | 0.78 | PIK3CD (0.31) | — |
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-116888100-A | High-activity HPK1 kinase inhibitor | 杭州阿诺生物医药科技有限公司 | 2023-10-13 | — | — | CN | disclosed |
| WO-2022214009-A1 | HIGH-ACTIVITY HPK1 KINASE INHIBITOR | 杭州阿诺生物医药科技有限公司 | 2022-10-13 | — | — | WO | disclosed |