⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112132 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10953942 | 0.97 | — | — | |
| SCHEMBL112214 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1939467 | 0.77 | — | — | |
| SCHEMBL31145055 | 0.75 | — | — | |
| SCHEMBL29470901 | 0.75 | — | — | |
| SCHEMBL5668716 | 0.75 | SIRT3 (0.48) | — | |
| SCHEMBL952595 | 0.75 | — | — | |
| SCHEMBL64272 | 0.75 | — | — | |
| SCHEMBL115776 | 0.73 | GAA (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230086703-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) | 2023-03-23 | — | — | US | disclosed |