SCHEMBL2496151

SCHEMBL2496151

CCCCN(CCC)COCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
KDM5A P29375 4/20 0.32
MAPT P10636 1/20 0.31
KCNH2 Q12809 2/20 0.31
KDM4C Q9H3R0 2/20 0.30
PHF8 Q9UPP1 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2497255 0.95 CA12 (0.34) CA12CA1CA9KDM5AMAPT
SCHEMBL2494658 0.90 HRH3 (0.31)
SCHEMBL2497813 0.86 KDM5A (0.37) CA12CA1CA9KDM5AKCNH2
SCHEMBL347977 0.85 CA12 (0.39) CA12CA1CA9KDM5AMAPT
SCHEMBL347018 0.80 CA12 (0.34) CA12CA1CA9MAPT
SCHEMBL2494291 0.80 MEN1 (0.32) KCNH2
Ether SCHEMBL27695907 0.79 KDM5A (0.39) CA12CA1CA9KDM5AMAPT
SCHEMBL27361642 0.79 HTR1B (0.38) KDM5A
SCHEMBL347715 0.79 HRH3 (0.33) CA12CA1CA9KCNH2
SCHEMBL16260979 0.78

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072496-B1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT OTSUKA CHEMICAL CO LTD (JP) 2017-11-15 EP disclosed
US-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029690-B2 Process for production of highly pure quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20100044617-A1 Method for producing high-purity quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2010-02-25 US disclosed
US-20090272933-A1 Process for production of highly pure quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2009-11-05 US disclosed
EP-2098518-A1 PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-09-09 EP disclosed
EP-2072496-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-06-24 EP disclosed