⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20517691 | 1.00 | — | — | |
| SCHEMBL29843420 | 0.82 | SSTR4 (0.34) | — | |
| SCHEMBL20517822 | 0.82 | SSTR4 (0.34) | — | |
| SCHEMBL20517553 | 0.82 | NFKB1 (0.32) | — | |
| SCHEMBL20525185 | 0.76 | SSTR4 (0.32) | — | |
| SCHEMBL22885615 | 0.69 | SSTR4 (0.33) | — | |
| SCHEMBL23152307 | 0.67 | TDP1 (0.40) | — | |
| SCHEMBL30799482 | 0.67 | SSTR4 (0.32) | — | |
| SCHEMBL23094749 | 0.65 | USP30 (0.34) | — | |
| SCHEMBL24331933 | 0.65 | NFKB1 (0.33) | — |
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-117024411-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2026-05-19 | — | — | CN | disclosed |
| CN-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |