⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30148744 | 0.83 | — | — | |
| SCHEMBL20288089 | 0.82 | — | — | |
| SCHEMBL7128088 | 0.80 | — | — | |
| SCHEMBL8076557 | 0.80 | — | — | |
| SCHEMBL23037414 | 0.76 | — | — | |
| SCHEMBL23882500 | 0.76 | MAPK1 (0.31) | — | |
| SCHEMBL16154386 | 0.76 | — | — | |
| SCHEMBL23037412 | 0.76 | — | — | |
| SCHEMBL839514 | 0.76 | MAPK1 (0.46) | — | |
| SCHEMBL17517302 | 0.76 | — | — |
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-2023030385-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-03-09 | — | — | WO | disclosed |