⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28133332 | 0.70 | PDE3B (0.53) | — | |
| SCHEMBL755723 | 0.70 | — | — | |
| Thiouracil SCHEMBL2856254 | 0.70 | — | — | |
| SCHEMBL1919869 | 0.70 | — | — | |
| SCHEMBL11359888 | 0.70 | — | — | |
| SCHEMBL83773 | 0.70 | — | — | |
| Uracil SCHEMBL877869 | 0.70 | — | — | |
| SCHEMBL4825 | 0.70 | — | — | |
| SCHEMBL6215876 | 0.70 | — | — | |
| SCHEMBL3855002 | 0.70 | HCAR2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115353514-A | Fluoro-pyridopyrimidone compound and synthetic method thereof | 河南师范大学 | 2022-11-18 | — | — | CN | claimed |
| CN-102659689-B | 4-substituted-2-butoxy-5-fluoropyrimidine compounds, and preparation method and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2014-12-17 | — | — | CN | disclosed |