⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1688554 | 0.97 | — | — | |
| SCHEMBL1288353 | 0.87 | — | — | |
| SCHEMBL2691245 | 0.85 | — | — | |
| SCHEMBL2688053 | 0.83 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1688388 | 0.82 | — | — | |
| SCHEMBL10275921 | 0.80 | — | — | |
| SCHEMBL1289113 | 0.80 | — | — | |
| SCHEMBL5942927 | 0.80 | — | — | |
| SCHEMBL2689491 | 0.79 | — | — | |
| SCHEMBL2689143 | 0.79 | PLK2 (0.35) | — |
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-20120115848-A1 | Inhibitors of Polo-Like Kinase | ELAN PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-20120115848-A1 | Inhibitors of Polo-Like Kinase | ELAN PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| US-20120115848-A1 | Inhibitors of Polo-Like Kinase | ELAN PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | US | disclosed |
| WO-2012048129-A2 | INHIBITORS OF POLO-LIKE KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2012-04-12 | — | — | WO | disclosed |