⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2296528 | 0.80 | SIGMAR1 (0.33) | — | |
| SCHEMBL2294580 | 0.79 | — | — | |
| SCHEMBL2302381 | 0.76 | — | — | |
| SCHEMBL2302363 | 0.74 | DPP4 (0.30) | — | |
| SCHEMBL2297645 | 0.72 | DPP4 (0.41) | — | |
| SCHEMBL2297156 | 0.71 | CTSK (0.32) | — | |
| SCHEMBL9924117 | 0.70 | GAA (0.32) | — | |
| SCHEMBL2299229 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL2299013 | 0.69 | — | — | |
| SCHEMBL2294529 | 0.69 | GLB1 (0.33) | — |
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-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | claimed |