⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22839884 | 0.89 | HTT (0.35) | — | |
| SCHEMBL22839890 | 0.86 | PTGDR2 (0.31) | — | |
| SCHEMBL22839935 | 0.83 | PPARG (0.36) | — | |
| SCHEMBL22839829 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL22839937 | 0.82 | NAMPT (0.33) | — | |
| SCHEMBL22839880 | 0.82 | — | — | |
| SCHEMBL22839942 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL22839885 | 0.82 | P4HB (0.32) | — | |
| SCHEMBL22839824 | 0.82 | HDAC1 (0.39) | — | |
| SCHEMBL22839818 | 0.82 | EPHX2 (0.34) | — |
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-3484879-B1 | HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARM SPA (IT) | 2020-12-30 | — | — | EP | disclosed |