SCHEMBL3901774

SCHEMBL3901774

CCCCCCN(C(=S)[S-])c1ccccc1.CCCCCCN(C(=S)[S-])c1ccccc1.[Cu+2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PAX8 Q06710 2/20 0.57
JAK2 O60674 1/20 0.57
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
TP53 P04637 3/20 0.42
ALDH1A1 P00352 5/20 0.42
GPX4 P36969 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL4612127 0.98 NPC1 (0.55) NPC1RAB9APAX8JAK2CA12
SCHEMBL3925469 0.97 NPC1 (0.57) NPC1RAB9APAX8JAK2CA12
SCHEMBL3892912 0.94 CA12 (0.56) NPC1RAB9APAX8JAK2CA12
SCHEMBL4614995 0.93 NPC1 (0.49) NPC1RAB9APAX8JAK2CA12
Zinc Ion SCHEMBL137277 0.90 NPC1 (0.49) NPC1RAB9APAX8JAK2CA12
SCHEMBL11430888 0.90 NPC1 (0.49) NPC1RAB9APAX8JAK2CA12
SCHEMBL3895225 0.86 CA12 (0.48) NPC1RAB9APAX8JAK2CA12
SCHEMBL27655080 0.85 NPC1 (0.62) NPC1RAB9APAX8JAK2TP53
SCHEMBL10618320 0.82 NPC1 (0.59) NPC1RAB9APAX8JAK2TP53
SCHEMBL1286223 0.82 NPC1 (0.59) NPC1RAB9APAX8JAK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 Process for inhibiting polymerization of a vinyl compound IDEMITSU KOSAN CO (JP) 2005-05-18 EP disclosed
US-6870066-B2 Method for decomposition of Michael type adduct NIPPON SHOKUBAI CO., LTD (JP) 2005-03-22 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