⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17590869 | 0.80 | — | — | |
| SCHEMBL1515270 | 0.77 | — | — | |
| SCHEMBL1751322 | 0.77 | — | — | |
| SCHEMBL4450788 | 0.74 | CYP2C19 (0.32) | — | |
| SCHEMBL10959027 | 0.74 | — | — | |
| SCHEMBL1751321 | 0.74 | — | — | |
| SCHEMBL1768062 | 0.74 | — | — | |
| SCHEMBL28083806 | 0.72 | CYP2C19 (0.50) | — | |
| SCHEMBL26683181 | 0.72 | CYP4F2 (0.42) | — | |
| SCHEMBL4143787 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011067348-A2 | MEK INHIBITOR SALTS AND SOLVATES THEREOF | NOVARTIS AG (CH) | 2011-06-09 | — | — | WO | disclosed |