⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15923601 | 0.51 | — | — | |
| SCHEMBL31572556 | 0.50 | — | — | |
| SCHEMBL31696438 | 0.49 | CYP1A2 (0.37) | — | |
| SCHEMBL31696453 | 0.49 | — | — | |
| SCHEMBL31493025 | 0.48 | — | — | |
| SCHEMBL31572532 | 0.48 | MPO (0.39) | — | |
| SCHEMBL18718176 | 0.46 | — | — | |
| SCHEMBL622521 | 0.44 | — | — | |
| SCHEMBL2812006 | 0.37 | — | — | |
| SCHEMBL31336766 | 0.37 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117024411-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2026-05-19 | — | — | CN | disclosed |