SCHEMBL3893771

SCHEMBL3893771

CCCCCC(CCCC)NC([O-])=S.NC([O-])=S.[Cu+2]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 3/20 0.37
DPP7 Q9UHL4 4/20 0.36
OPRM1 P35372 1/20 0.34
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP4 P27487 2/20 0.33
NFKB1 P19838 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
SLC15A1 P46059 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TP53 P04637 1/20 0.32
LAP3 P28838 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4612208 0.98 CA1 (0.38) PLA2G2CCA2CA1DPP7OPRM1
SCHEMBL3898813 0.96 PLA2G2C (0.38) PLA2G2CCA2CA1DPP7DPP8
SCHEMBL3894538 0.95 CA1 (0.36) PLA2G2CCA2CA1DPP7OPRM1
SCHEMBL3905757 0.93 DPP7 (0.36) PLA2G2CCA2CA1DPP7DPP8
SCHEMBL3897686 0.91 CA1 (0.36) PLA2G2CCA2CA1OPRM1NFKB1
SCHEMBL3898502 0.89 CA2 (0.37) PLA2G2CCA2CA1DPP7DPP8
SCHEMBL3906390 0.84 TAS1R3 (0.36) NFKB1
SCHEMBL3896564 0.84 CA1 (0.40) CA2CA1OPRM1NFKB1SPHK1
SCHEMBL3896553 0.81 TAS1R3 (0.37) CA2CA1DPP7DPP8DPP9
SCHEMBL28108715 0.81 PLA2G2C (0.45) PLA2G2CCA2DPP7OPRM1SPHK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016026763-A1 PROCESS FOR PREPARING ACRYLIC ACID USING A HETEROGENEOUS ALUMINA CATALYST BASF SE (DE) 2016-02-25 WO disclosed
WO-2016026761-A1 PROCESS FOR PREPARING ACRYLIC ACID BY DEHYDRATION OF 3-HYDROXYPROPIONIC ACID BASF SE (DE) 2016-02-25 WO disclosed
EP-1382592-B1 Method for production of acrylic acid NIPPON CATALYTIC CHEM IND (JP) 2009-01-28 EP disclosed
EP-1388532-B1 Method for production of acrylic acid NIPPON CATALYTIC CHEM IND (JP) 2008-06-18 EP disclosed
EP-1388533-B1 Method for production of acrylic acid NIPPON CATALYTIC CHEM IND (JP) 2008-06-18 EP disclosed
EP-1357105-B1 Decomposition of a Michael type adduct of acrylic acid or acrylic acid ester NIPPON CATALYTIC CHEM IND (JP) 2008-03-12 EP disclosed
US-7332624-B2 Method for production of acrylic acid NIPPON SHOKUBAI CO., LTD. (JP) 2008-02-19 US disclosed
US-7304176-B2 Process for producing easily polymerizable substance NIPPON SHOKUBAI CO., LTD. (JP) 2007-12-04 US disclosed
US-7109372-B2 Method for production of acrylic acid NIPPON SHOKUBAI CO., LTD (JP) 2006-09-19 US disclosed
US-7038079-B2 Method for production of acrylic acid NIPPON SHOKUBAI CO., LTD. (JP) 2006-05-02 US disclosed
EP-1264819-A1 Process for inhibiting polymerization of a vinyl compound IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-6476162-B1 Method for preventing easily polymerizing substance from polymerization and method for production of (meth) acrylic acid or ester thereof NIPPON SHOKUBAI CO., LTD. (JP) 2002-11-05 US disclosed
US-20020002253-A1 Method for preventing polymerization of (meth) acrylic acid and esters thereof and method for the production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2002-01-03 US disclosed
EP-1162192-A2 Method for preventing polymerization of olefinic monomers and method for the production thereof Nippon Shokubai Co., Ltd. (JP) 2001-12-12 EP disclosed
EP-1043303-A1 Method of inhibiting vinyl compound polymerization Idemitsu Petrochemical Co., Ltd. (JP) 2000-10-11 EP disclosed
US-6051735-A ALLOWING CORROSION INHIBITOR SELECTED FROM: ALIPHATIC ALCOHOL, INORGANIC ACID OR SALT, AROMATIC CARBOXYLIC ACID OR SALT AND ZINC-CONTAINING SALT TO COEXIST WITH METALLIC SALT OF DITHIOCARBAMIC ACID DURING PRODUCTION ACRYLIC ACID IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-04-18 US disclosed
US-5886220-A INCORPORATING WATER AND METALLIC SALT OF DITHIOCARBAMIC ACID AS A POLYMERIZATION INHIBITOR IN PRODUCTION OF ACRYLIC OR MATHACRYLIC OR OTHER VINYL COMPOUNDS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-03-23 US disclosed
US-5856568-A USING MIXTURE OF N-NITROSOPHENYLHYDROXYLAMINE; COPPER COMPOUND AND ACID IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0855376-A1 METHOD FOR INHIBITING POLYMERIZATION OF VINYL COMPOUNDS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1998-07-29 EP disclosed
EP-0781755-A1 METHOD OF INHIBITING VINYL COMPOUND POLYMERIZATION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-07-02 EP disclosed