⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2099639 | 1.00 | — | — | |
| SCHEMBL2099496 | 1.00 | — | — | |
| SCHEMBL737128 | 0.87 | KDM4E (0.50) | — | |
| SCHEMBL736713 | 0.87 | KDM4E (0.50) | — | |
| SCHEMBL772580 | 0.87 | KDM4E (0.50) | — | |
| SCHEMBL15535149 | 0.87 | SIGMAR1 (0.41) | — | |
| SCHEMBL1196444 | 0.86 | CARM1 (0.56) | — | |
| SCHEMBL2100158 | 0.85 | KDM4E (0.46) | — | |
| SCHEMBL2103279 | 0.85 | KDM4E (0.46) | — | |
| SCHEMBL9374563 | 0.81 | SIGMAR1 (0.46) | — |
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-8138206-B2 | Piperidine derivative | MSD. K.K. (JP) | 2012-03-20 | — | — | 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-20090137576-A1 | Novel Piperidine Derivative | MSD K.K. (JP) | 2009-05-28 | — | — | 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-1892241-A1 | NOVEL PIPERIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-02-27 | — | — | EP | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |