SCHEMBL6939870

SCHEMBL6939870

CCCCCCCCCCCCCCCCOC(=O)CCCl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
DGKA P23743 1/20 0.64
HTR2C P28335 1/20 0.61
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
FAAH O00519 1/20 0.53
DNM1 Q05193 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
PAM P19021 2/20 0.48
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL11788847 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811496 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11373406 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11758543 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21384553 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811933 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11785852 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL11786673 1.00 NAAA (0.64) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21811530 0.98 NAAA (0.61) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL1365902 0.92 DGKA (0.57) NAAADGKAHTR2CRAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101691335-B Carboxylic acid higher alcohol ester-trimethyl ammonium chloride and application thereof in clay stabilizer DAQING FUJIE CHEMICAL CO LTD 2013-03-27 CN disclosed
CN-101691335-A Carboxylic acid higher alcohol ester-trimethyl ammonium chloride and application thereof in clay stabilizer DAQING FUJIE CHEMICAL CO LTD 2010-04-07 CN disclosed
CN-1159285-C Preparation method of betaine alkyl ester mixture ������������ʽ���� 2004-07-28 CN disclosed
EP-1016650-B1 A method for preparing of betaine alkyl ester-alcohol mixture KAO CORP (JP) 2003-03-05 EP disclosed
US-6346259-B1 DEHYDROHALOGENATION OF HALOALKYLESTER WITH TERTIARY AMINE AND ALCOHOL TO FORM BETAINE ALKYL ESTER KAO CORPORATION (JP) 2002-02-12 US disclosed
CN-1263085-A Preparation method of betaine alkyl ester mixture KAO CORP (JP) 2000-08-16 CN disclosed
EP-1016650-A1 A method for preparing of betaine alkyl ester mixture KAO CORPORATION (JP) 2000-07-05 EP disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 US disclosed