⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11719440 | 0.65 | — | — | |
| SCHEMBL372462 | 0.56 | — | — | |
| SCHEMBL6724092 | 0.48 | — | — | |
| SCHEMBL19875800 | 0.48 | — | — | |
| SCHEMBL14672815 | 0.48 | — | — | |
| SCHEMBL675971 | 0.48 | CA2 (0.33) | — | |
| SCHEMBL4221776 | 0.47 | — | — | |
| SCHEMBL1687971 | 0.47 | — | — | |
| SCHEMBL17598900 | 0.47 | MEN1 (0.38) | — | |
| SCHEMBL515670 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120040951-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. | 2012-02-16 | — | — | US | disclosed |
| EP-2379513-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078408-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | BIOGEN IDEC MA INC. (US) | 2010-07-08 | — | — | WO | disclosed |