⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6647979 | 0.67 | — | — | |
| SCHEMBL5691856 | 0.67 | — | — | |
| SCHEMBL28276623 | 0.67 | — | — | |
| SCHEMBL18068965 | 0.62 | — | — | |
| SCHEMBL5058741 | 0.62 | — | — | |
| SCHEMBL1359359 | 0.59 | — | — | |
| SCHEMBL27475242 | 0.52 | — | — | |
| SCHEMBL860617 | 0.52 | — | — | |
| SCHEMBL1292038 | 0.50 | — | — | |
| SCHEMBL2074977 | 0.50 | MAPK1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110381950-A | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2019-10-25 | — | — | CN | disclosed |