⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5015729 | 0.70 | AKR1B1 (0.34) | — | |
| SCHEMBL5017699 | 0.69 | CHEK1 (0.41) | — | |
| SCHEMBL5015633 | 0.67 | CHEK1 (0.33) | — | |
| SCHEMBL5015632 | 0.66 | — | — | |
| SCHEMBL4289807 | 0.66 | CHEK1 (0.56) | — | |
| SCHEMBL5024323 | 0.66 | CHEK1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL5015643 | 0.65 | — | — | |
| SCHEMBL5025797 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL5017759 | 0.63 | MAOB (0.37) | — | |
| SCHEMBL3134984 | 0.57 | CYP1A2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |
| 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 |