SCHEMBL3898502

SCHEMBL3898502

CCCCC(CC)NC([O-])=S.NC([O-])=S.[Cu+2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.37
CA1 P00915 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G2C Q5R387 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL3897686 0.95 CA1 (0.36) CA2CA1ALDH1A1TDP1PLA2G2C
SCHEMBL3898813 0.92 PLA2G2C (0.38) CA2CA1ALDH1A1TDP1PLA2G2C
SCHEMBL3893771 0.89 PLA2G2C (0.39) CA2CA1ALDH1A1TDP1PLA2G2C
SCHEMBL3905757 0.89 DPP7 (0.36) CA2CA1ALDH1A1TDP1PLA2G2C
SCHEMBL3898778 0.89 TAS1R3 (0.35) TSHRCYP3A4
SCHEMBL4612208 0.87 CA1 (0.38) CA2CA1PLA2G2CDPP7CYP3A4
SCHEMBL4614526 0.84 CA12 (0.35) CA2CA1TDP1LMNA
SCHEMBL3894538 0.84 CA1 (0.36) CA2CA1PLA2G2CDPP4DPP8
SCHEMBL28501375 0.82 CA2 (0.41) CA2CA1ALDH1A1TDP1PLA2G2C
SCHEMBL3896553 0.81 TAS1R3 (0.37) CA2CA1ALDH1A1TDP1DPP4

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