⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9956888 | 0.78 | — | — | |
| SCHEMBL20384060 | 0.78 | — | — | |
| SCHEMBL24919156 | 0.75 | — | — | |
| SCHEMBL21574872 | 0.69 | — | — | |
| SCHEMBL6923643 | 0.69 | — | — | |
| SCHEMBL17284460 | 0.69 | — | — | |
| SCHEMBL20311206 | 0.68 | — | — | |
| SCHEMBL22249367 | 0.68 | — | — | |
| SCHEMBL12457879 | 0.68 | — | — | |
| SCHEMBL2143600 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015101293-A1 | KINASE INHIBITOR AND USE THEREOF | 山东轩竹医药科技有限公司 | 2015-07-09 | — | — | WO | disclosed |