⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21287269 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL21287279 | 0.66 | — | — | |
| SCHEMBL23288605 | 0.65 | — | — | |
| SCHEMBL23288612 | 0.64 | — | — | |
| SCHEMBL24181681 | 0.63 | — | — | |
| SCHEMBL20008099 | 0.57 | — | — | |
| SCHEMBL21287273 | 0.57 | — | — | |
| SCHEMBL24181925 | 0.57 | — | — | |
| SCHEMBL21088130 | 0.56 | — | — | |
| SCHEMBL14038060 | 0.56 | DPP4 (0.36) | — |
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-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |