⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21817669 | 0.76 | — | — | |
| SCHEMBL12643820 | 0.76 | — | — | |
| SCHEMBL3648737 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9229553 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8971768 | 0.74 | TLR8 (0.49) | — | |
| SCHEMBL9460145 | 0.73 | — | — | |
| SCHEMBL6102228 | 0.73 | — | — | |
| Water SCHEMBL28334818 | 0.73 | TLR8 (0.58) | — | |
| SCHEMBL665391 | 0.73 | — | — | |
| SCHEMBL667269 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050124607-A1 | 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC | 2005-06-09 | — | — | US | claimed |
| EP-1644343-B1 | 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | EP | disclosed |
| EP-1644343-A1 | 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050124607-A1 | 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists | ROCHE PALO ALTO LLC | 2005-06-09 | — | — | US | disclosed |
| WO-2005005397-A1 | 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-20 | — | — | WO | disclosed |