⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25823025 | 0.85 | LPL (0.31) | — | |
| SCHEMBL25823021 | 0.82 | P2RX7 (0.38) | — | |
| SCHEMBL25823165 | 0.81 | USP14 (0.32) | — | |
| SCHEMBL25823055 | 0.79 | — | — | |
| SCHEMBL25823015 | 0.78 | CCNA2 (0.38) | — | |
| SCHEMBL25823019 | 0.78 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL25823010 | 0.78 | CYP2E1 (0.36) | — | |
| SCHEMBL25824388 | 0.78 | NPC1 (0.36) | — | |
| SCHEMBL25824923 | 0.77 | IRAK4 (0.31) | — | |
| SCHEMBL25823051 | 0.74 | PDGFRB (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212160-A1 | 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS | BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |