⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4288202 | 0.73 | CHEK1 (0.38) | — | |
| SCHEMBL4294738 | 0.62 | NCOA3 (0.40) | — | |
| SCHEMBL15558497 | 0.62 | TRPA1 (0.33) | — | |
| SCHEMBL4300826 | 0.60 | — | — | |
| SCHEMBL23588042 | 0.53 | CA1 (0.42) | — | |
| SCHEMBL4871836 | 0.53 | AR (0.65) | — | |
| SCHEMBL21994516 | 0.53 | MAOB (0.36) | — | |
| SCHEMBL30350712 | 0.53 | DGAT1 (0.34) | — | |
| SCHEMBL3860257 | 0.53 | PTGDR2 (0.31) | — | |
| SCHEMBL308902 | 0.53 | DGAT1 (0.34) | — |
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-20090258852-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |