⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1862371 | 0.85 | — | — | |
| SCHEMBL27383218 | 0.76 | FKBP5 (0.39) | — | |
| Pyrimidine SCHEMBL27523914 | 0.72 | ALDH1A1 (0.36) | — | |
| Pyrimidine SCHEMBL28763829 | 0.68 | AURKA (0.37) | — | |
| Pyrimidine SCHEMBL28144502 | 0.68 | DAO (0.37) | — | |
| SCHEMBL6567013 | 0.65 | DAO (0.35) | — | |
| SCHEMBL8691932 | 0.65 | DAO (0.35) | — | |
| SCHEMBL6323857 | 0.61 | — | — | |
| SCHEMBL6209082 | 0.61 | — | — | |
| SCHEMBL3299719 | 0.61 | — | — |
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-114560854-A | Synthetic method of aromatic amino pyrimidine azole compound | 深圳湾实验室 | 2022-05-31 | — | — | CN | disclosed |