⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14688256 | 0.65 | — | — | |
| SCHEMBL355207 | 0.62 | — | — | |
| SCHEMBL3634448 | 0.58 | — | — | |
| SCHEMBL13071691 | 0.55 | — | — | |
| SCHEMBL31165871 | 0.54 | — | — | |
| SCHEMBL2043272 | 0.53 | — | — | |
| SCHEMBL22433803 | 0.52 | — | — | |
| SCHEMBL19457054 | 0.52 | — | — | |
| SCHEMBL2045873 | 0.52 | — | — | |
| SCHEMBL7399927 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748159-A1 | SERINE/THREONINE PAK1 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026914-A1 | SERINE/THREONINE PAK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-28 | — | — | WO | disclosed |