⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13966502 | 0.75 | — | — | |
| SCHEMBL294748 | 0.67 | — | — | |
| SCHEMBL444154 | 0.67 | — | — | |
| SCHEMBL444936 | 0.66 | GRIN2D (0.37) | — | |
| SCHEMBL10204975 | 0.66 | GRIN2D (0.37) | — | |
| SCHEMBL2100535 | 0.63 | CYP2B6 (0.30) | — | |
| SCHEMBL23188243 | 0.62 | — | — | |
| SCHEMBL9533387 | 0.62 | — | — | |
| SCHEMBL179261 | 0.60 | — | — | |
| SCHEMBL4915083 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8124605-B2 | Compositions and methods for modulating a kinase cascade | KINEX PHARMACEUTICALS, LLC (US) | 2012-02-28 | — | — | US | disclosed |
| US-20090149510-A1 | Compositions and methods for modulating a kinase cascade | OAKTREE FUND ADMINISTRATION, LLC | 2009-06-11 | — | — | US | disclosed |