⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2006030 | 0.82 | — | — | |
| SCHEMBL16948836 | 0.79 | — | — | |
| SCHEMBL2008773 | 0.78 | — | — | |
| SCHEMBL13983172 | 0.74 | — | — | |
| SCHEMBL2576444 | 0.74 | — | — | |
| SCHEMBL1997950 | 0.74 | — | — | |
| SCHEMBL510384 | 0.74 | — | — | |
| SCHEMBL595177 | 0.74 | — | — | |
| SCHEMBL5733790 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3091343 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163770-B2 | Benzoxathiin derivative | MSD. K. K. (JP) | 2012-04-24 | — | — | US | disclosed |
| 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-20100168156-A1 | Novel Benzoxathiine Derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20080275069-A1 | Quinazoline Derivative | MSD K.K. (JP) | 2008-11-06 | — | — | US | disclosed |
| EP-1944301-A1 | NOVEL BENZOXATHIIN DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-07-16 | — | — | EP | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |
| CN-1283630-C | 3-substituted piperazine triadimenol antifungal compounds and their salts | UNIV PLA 2ND MILITARY MEDICAL (CN) | 2006-11-08 | — | — | CN | disclosed |
| CN-1557808-A | 3-substituted piperazine triadimenol antifungal compounds and their salts | 中国人民解放军第二军医大学 | 2004-12-29 | — | — | CN | disclosed |
| CN-1391574-A | Pyrazolo [1, 5-d ] [1,2,4] triazine compounds for improving cognition | MERCK SHARP & DOHME (GB) | 2003-01-15 | — | — | CN | disclosed |