SCHEMBL2494844

SCHEMBL2494844

CCCCN(CCC)COC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MAPT P10636 1/20 0.32
KCNH2 Q12809 4/20 0.31

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
SCHEMBL2497623 0.95 CA12 (0.36) CA12CA1CA9MAPT
SCHEMBL2493465 0.89 HRH3 (0.32) CA12CA9
SCHEMBL2499595 0.85 CA12 (0.35) CA12CA1CA9KCNH2
SCHEMBL24359433 0.84 HRH3 (0.32) CA12CA9
SCHEMBL2499563 0.79
SCHEMBL2496151 0.78 CA12 (0.32) CA12CA1CA9MAPTKCNH2
SCHEMBL12305100 0.78 HTR1B (0.39) KCNH2
SCHEMBL218572 0.78 CA12 (0.42) CA12CA1CA9MAPTKCNH2
SCHEMBL3480441 0.78 CA12 (0.42) CA12CA1CA9MAPTKCNH2
SCHEMBL219200 0.78 CA12 (0.42) CA12CA1CA9MAPTKCNH2

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