⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3734132 | 1.00 | — | — | |
| SCHEMBL9070667 | 1.00 | — | — | |
| SCHEMBL17665152 | 0.77 | — | — | |
| SCHEMBL8299365 | 0.77 | — | — | |
| SCHEMBL17665146 | 0.77 | — | — | |
| SCHEMBL18995286 | 0.77 | — | — | |
| SCHEMBL19338318 | 0.77 | — | — | |
| SCHEMBL15893898 | 0.77 | — | — | |
| SCHEMBL15208286 | 0.76 | — | — | |
| SCHEMBL1852888 | 0.76 | PDE4A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644369-A2 | ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005005395-A2 | ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-20 | — | — | WO | disclosed |