⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL677341 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL25181908 | 0.83 | — | — | |
| SCHEMBL596640 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL19867161 | 0.74 | L3MBTL1 (0.40) | — | |
| SCHEMBL142631 | 0.74 | NOTUM (0.34) | — | |
| SCHEMBL4888707 | 0.74 | SSTR4 (0.32) | — | |
| SCHEMBL1691562 | 0.72 | MCHR1 (0.40) | — | |
| SCHEMBL4885849 | 0.71 | CSNK2A1 (0.44) | — | |
| SCHEMBL8764 | 0.71 | — | — | |
| SCHEMBL4888139 | 0.70 | SMN1; SMN2 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080293939-A1 | QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS | CULSHAW ANDREW JAMES | 2008-11-27 | — | — | US | disclosed |
| CN-100432059-C | Quinazolinone derivatives useful as anti-hyperalgesic agents | NOVARTIS AG (CH) | 2008-11-12 | — | — | CN | disclosed |
| CN-1711249-A | Quinazolinone derivatives useful as anti-hyperalgesic agents | NOVARTIS AG (CH) | 2005-12-21 | — | — | CN | disclosed |