⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18723458 | 0.67 | — | — | |
| SCHEMBL10154239 | 0.67 | MRGPRX2 (0.50) | — | |
| SCHEMBL13774864 | 0.62 | ITGA4 (0.35) | — | |
| SCHEMBL8549931 | 0.62 | — | — | |
| SCHEMBL8277333 | 0.62 | — | — | |
| SCHEMBL1054620 | 0.61 | — | — | |
| SCHEMBL7801495 | 0.61 | PDE4B (0.34) | — | |
| SCHEMBL6451753 | 0.61 | — | — | |
| SCHEMBL199019 | 0.61 | MAPK14 (0.32) | — | |
| SCHEMBL9115580 | 0.57 | — | — |
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-2012002583-A1 | METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES WITH A COMBINATION THERAPY | VANDERBILT UNIVERSITY (US) | 2012-01-05 | — | — | WO | disclosed |