⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10178153 | 0.83 | — | — | |
| SCHEMBL15121116 | 0.79 | — | — | |
| SCHEMBL14849815 | 0.79 | — | — | |
| SCHEMBL422711 | 0.77 | HTT (0.31) | — | |
| SCHEMBL10178307 | 0.77 | — | — | |
| SCHEMBL10177493 | 0.77 | — | — | |
| SCHEMBL29814797 | 0.77 | HTT (0.31) | — | |
| SCHEMBL10109835 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL14927221 | 0.76 | — | — | |
| SCHEMBL28907220 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846917-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-30 | — | — | US | disclosed |
| US-8841337-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130115311-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |
| US-20130115312-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |