⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2007811 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL2004613 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL2003519 | 0.83 | — | — | |
| SCHEMBL2008632 | 0.81 | — | — | |
| SCHEMBL743899 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL971696 | 0.78 | — | — | |
| SCHEMBL2101548 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL7854986 | 0.77 | — | — | |
| SCHEMBL13730034 | 0.77 | — | — | |
| SCHEMBL2004505 | 0.77 | — | — |
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-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20080275069-A1 | Quinazoline Derivative | MSD K.K. (JP) | 2008-11-06 | — | — | US | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |