⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10093224 | 0.79 | BRD4 (0.40) | — | |
| SCHEMBL7750944 | 0.71 | PLK1 (0.37) | — | |
| SCHEMBL16984508 | 0.70 | OPRM1 (0.32) | — | |
| SCHEMBL92595 | 0.70 | BRD4 (0.41) | — | |
| SCHEMBL10093296 | 0.69 | PLK1 (0.30) | — | |
| SCHEMBL92594 | 0.68 | BRD4 (0.41) | — | |
| SCHEMBL13846078 | 0.62 | — | — | |
| SCHEMBL14193656 | 0.62 | PLK1 (0.37) | — | |
| SCHEMBL16984420 | 0.59 | PLK1 (0.37) | — | |
| SCHEMBL16984507 | 0.59 | PLK1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102210-B1 | COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2011-02-09 | — | — | EP | disclosed |