SCHEMBL3897686

SCHEMBL3897686

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.34
BIRC2 Q13490 1/20 0.33
OPRM1 P35372 1/20 0.33
NFKB1 P19838 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
PLA2G2C Q5R387 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
TP53 P04637 1/20 0.32
LAP3 P28838 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
DNM1 Q05193 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
SCHEMBL3898502 0.95 CA2 (0.37) CA1CA2PLA2G2CTP53ALDH1A1
SCHEMBL4612208 0.93 CA1 (0.38) CA1CA2OPRM1NFKB1SPHK1
SCHEMBL3893771 0.91 PLA2G2C (0.39) CA1CA2OPRM1NFKB1SPHK1
SCHEMBL3894538 0.89 CA1 (0.36) CA1CA2OPRM1NFKB1SPHK1
SCHEMBL3898813 0.87 PLA2G2C (0.38) CA1CA2PLA2G2CALDH1A1TDP1
SCHEMBL3898778 0.87 TAS1R3 (0.35) NFKB1
SCHEMBL3905757 0.84 DPP7 (0.36) CA1CA2PLA2G2CALDH1A1TDP1
SCHEMBL4614526 0.82 CA12 (0.35) CA1CA2TDP1LMNA
SCHEMBL3896564 0.82 CA1 (0.40) CA1CA2BIRC2OPRM1NFKB1
SCHEMBL11055811 0.81 SPHK1 (0.38) CA1CA2OPRM1SPHK1PLA2G2C

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-2016026761-A1 PROCESS FOR PREPARING ACRYLIC ACID BY DEHYDRATION OF 3-HYDROXYPROPIONIC ACID BASF SE (DE) 2016-02-25 WO disclosed
WO-2016026763-A1 PROCESS FOR PREPARING ACRYLIC ACID USING A HETEROGENEOUS ALUMINA CATALYST 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