⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21076840 | 0.72 | POLB (0.36) | — | |
| SCHEMBL21076983 | 0.71 | GCK (0.32) | — | |
| SCHEMBL22762493 | 0.68 | ATAD2 (0.34) | — | |
| SCHEMBL21077072 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL21076846 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL21077047 | 0.63 | CTPS1 (0.52) | — | |
| SCHEMBL12894440 | 0.52 | CCR4 (0.46) | — | |
| SCHEMBL16472953 | 0.52 | ALOX5 (0.41) | — | |
| SCHEMBL22838132 | 0.51 | CCR4 (0.49) | — | |
| SCHEMBL21990942 | 0.51 | GSK3B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020245665-A1 | N-(4-(5-CHLOROPYRIDIN-3-YL)PHENYL)-2-(2-(CYCLOPROPANESULFONAMIDO)PYRIMIDIN-4-YL) BUTANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | STEP PHARMA S.A.S. (FR) | 2020-12-10 | — | — | WO | disclosed |