⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2635111 | 0.96 | GABRG2 (0.31) | — | |
| SCHEMBL506148 | 0.76 | ATR (0.38) | — | |
| SCHEMBL2635325 | 0.74 | DGAT1 (0.32) | — | |
| SCHEMBL2635324 | 0.74 | — | — | |
| SCHEMBL14829156 | 0.72 | GABRA1 (0.32) | — | |
| SCHEMBL506216 | 0.72 | ATR (0.40) | — | |
| SCHEMBL667206 | 0.70 | ATR (0.39) | — | |
| SCHEMBL2636173 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL2636171 | 0.69 | — | — | |
| SCHEMBL2635876 | 0.68 | USP30 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |