⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4753908 | 0.79 | — | — | |
| SCHEMBL27793687 | 0.77 | — | — | |
| SCHEMBL4067354 | 0.71 | — | — | |
| Oxalic Acid SCHEMBL6090665 | 0.67 | — | — | |
| SCHEMBL27578246 | 0.67 | CA1 (0.34) | — | |
| SCHEMBL5207712 | 0.65 | — | — | |
| SCHEMBL27668360 | 0.65 | — | — | |
| SCHEMBL6150942 | 0.62 | — | — | |
| SCHEMBL8392651 | 0.61 | — | — | |
| SCHEMBL27822448 | 0.60 | CA2 (0.31) | — |
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-108368060-B | Pyrimidine derivative kinase inhibitors | 中国科学院合肥物质科学研究院 | 2020-09-15 | — | — | CN | disclosed |