⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12733699 | 0.80 | — | — | |
| SCHEMBL3250844 | 0.71 | — | — | |
| SCHEMBL2616839 | 0.69 | — | — | |
| SCHEMBL15255691 | 0.68 | — | — | |
| SCHEMBL2755081 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9820335 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL10177201 | 0.67 | — | — | |
| SCHEMBL9394645 | 0.66 | KDM4E (0.32) | — | |
| SCHEMBL26991044 | 0.66 | — | — | |
| SCHEMBL18922433 | 0.65 | — | — |
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 |