⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12018906 | 0.76 | MAPK1 (0.31) | — | |
| SCHEMBL5621274 | 0.65 | — | — | |
| SCHEMBL11393703 | 0.64 | — | — | |
| SCHEMBL11311495 | 0.64 | — | — | |
| SCHEMBL1110025 | 0.61 | — | — | |
| SCHEMBL601185 | 0.61 | — | — | |
| SCHEMBL14616110 | 0.61 | — | — | |
| SCHEMBL12346252 | 0.59 | — | — | |
| SCHEMBL23451925 | 0.58 | CYP3A4 (0.33) | — | |
| SCHEMBL24942543 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1995250-A1 | LIGAND, METHOD FOR PRODUCING THE SAME, AND CATALYST USING THE LIGAND | The University of Tokyo (JP) | 2008-11-26 | — | — | EP | disclosed |