⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10183114 | 0.89 | — | — | |
| SCHEMBL10183038 | 0.70 | AR (0.44) | — | |
| SCHEMBL10183103 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL10183044 | 0.69 | MAPK1 (0.47) | — | |
| SCHEMBL10183602 | 0.68 | MAPK1 (0.50) | — | |
| SCHEMBL10183120 | 0.64 | WNT1 (0.34) | — | |
| SCHEMBL10183113 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL14980164 | 0.60 | — | — | |
| SCHEMBL10183608 | 0.60 | GSK3B (0.34) | — | |
| SCHEMBL20370769 | 0.60 | ALDH1A1 (0.32) | — |
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-20120040951-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. | 2012-02-16 | — | — | US | disclosed |