⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165271 | 0.77 | — | — | |
| SCHEMBL29504479 | 0.77 | — | — | |
| Urea SCHEMBL1760920 | 0.68 | PI4KA (0.36) | — | |
| Piperazine SCHEMBL798274 | 0.68 | PI4KA (0.32) | — | |
| SCHEMBL31119774 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL31049795 | 0.67 | — | — | |
| Acetamide SCHEMBL9933914 | 0.66 | PI4KA (0.34) | — | |
| SCHEMBL28957900 | 0.66 | PI4KA (0.31) | — | |
| SCHEMBL35212535 | 0.65 | — | — | |
| SCHEMBL655393 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240336628-A1 | NOVEL COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF | BREAKPOINT THERAPEUTICS GMBH (DE) | 2024-10-10 | — | — | US | disclosed |
| CN-115427412-B | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |