⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10875055 | 0.84 | CHRM2 (0.43) | — | |
| SCHEMBL22458551 | 0.82 | CHRM2 (0.42) | — | |
| SCHEMBL8757492 | 0.77 | HPGD (0.50) | — | |
| SCHEMBL12528101 | 0.77 | BTK (0.33) | — | |
| SCHEMBL12528034 | 0.77 | BTK (0.33) | — | |
| Dimethylamine SCHEMBL27849641 | 0.76 | CYP1A2 (0.44) | — | |
| SCHEMBL1006102 | 0.76 | — | — | |
| SCHEMBL10154232 | 0.76 | HPGD (0.49) | — | |
| SCHEMBL15443047 | 0.74 | — | — | |
| SCHEMBL2911474 | 0.73 | HPGD (0.30) | — |
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-7629468-B2 | Neuroprotectants, analgesics or anticonvulsants | JANSSEN PHARMACEUTICA NV (BE) | 2009-12-08 | — | — | US | disclosed |
| EP-1332133-B1 | METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-07-09 | — | — | EP | disclosed |