SCHEMBL2493465

SCHEMBL2493465

CCCN(CCC)COC

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 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
SCHEMBL24359433 0.94 HRH3 (0.32) HRH3CA12CA2CA9
SCHEMBL2494844 0.89 CA12 (0.33) CA12CA9
SCHEMBL2499563 0.88
SCHEMBL1752611 0.83
SCHEMBL2497623 0.82 CA12 (0.36) CA12CA9
SCHEMBL1546247 0.80
SCHEMBL347715 0.78 HRH3 (0.33) HRH3HTR1ACA12CA2CA9
SCHEMBL4846383 0.76
SCHEMBL23280489 0.76
SCHEMBL13241895 0.75

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 14 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-20130270190-A1 Extraction Of Anions From Solutions And Mixtures Using Hyperbranched Macromolecules CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-10-17 US disclosed
CN-101516829-B Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD 2013-01-16 CN disclosed
US-8277664-B2 Extraction of anions from solutions and mixtures using hyperbranched macromolecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
CN-101516862-B Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO.,LTD. (JP) 2012-02-01 CN 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-20100181257-A1 Extraction Of Anions From Solutions And Mixtures Using Hyperbranched Macromolecules CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-07-22 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
CN-101516829-A Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD (JP) 2009-08-26 CN disclosed
CN-101516862-A Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO LTD (JP) 2009-08-26 CN disclosed
EP-2072496-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-06-24 EP disclosed