⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15041326 | 0.93 | PIK3CD (0.41) | — | |
| SCHEMBL15035447 | 0.87 | — | — | |
| SCHEMBL15041827 | 0.80 | PIK3CD (0.45) | — | |
| SCHEMBL15035340 | 0.79 | — | — | |
| SCHEMBL15041842 | 0.77 | CDK4 (0.51) | — | |
| SCHEMBL15035517 | 0.76 | CDK4 (0.50) | — | |
| SCHEMBL15034924 | 0.75 | — | — | |
| SCHEMBL15036192 | 0.74 | CDK4 (0.52) | — | |
| SCHEMBL15036220 | 0.73 | — | — | |
| SCHEMBL15035032 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |