⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4032175 | 0.79 | CDK1 (0.35) | — | |
| SCHEMBL8662458 | 0.78 | — | — | |
| SCHEMBL19474284 | 0.75 | — | — | |
| SCHEMBL7741975 | 0.73 | — | — | |
| SCHEMBL6797745 | 0.73 | — | — | |
| SCHEMBL5050328 | 0.73 | — | — | |
| SCHEMBL4025607 | 0.73 | — | — | |
| SCHEMBL3647422 | 0.73 | — | — | |
| SCHEMBL13785217 | 0.72 | PRCP (0.50) | — | |
| SCHEMBL3652550 | 0.72 | CYP1A2 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8603998-B2 | Modulators of cell cycle checkpoints and their use in combination with checkpoint kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-12-10 | — | — | US | disclosed |
| EP-2217611-B1 | NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| US-20110183933-A1 | NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2011-07-28 | — | — | US | disclosed |