⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28311822 | 0.75 | AURKA (0.40) | — | |
| SCHEMBL28726329 | 0.73 | SORT1 (0.41) | — | |
| SCHEMBL27384087 | 0.73 | GRM5 (0.35) | — | |
| SCHEMBL9461070 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL28006249 | 0.67 | CCR1 (0.44) | — | |
| SCHEMBL10921059 | 0.67 | AURKA (0.33) | — | |
| SCHEMBL18891533 | 0.66 | ALDH1A1 (0.44) | — | |
| SCHEMBL9481640 | 0.66 | AURKA (0.32) | — | |
| SCHEMBL10828483 | 0.66 | ROCK1 (0.40) | — | |
| SCHEMBL14051113 | 0.66 | HTR7 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117903064-A | 2-Sulfonyl pyrimidine-4-carboxamide compound I and synthetic method thereof | 西北师范大学 | 2024-04-19 | — | — | CN | claimed |
| CN-117903065-A | Synthesis method of 2-sulfonyl pyrimidine-4-carboxamide compound II | 西北师范大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-117903064-A | 2-Sulfonyl pyrimidine-4-carboxamide compound I and synthetic method thereof | 西北师范大学 | 2024-04-19 | — | — | CN | disclosed |