SCHEMBL4614973

SCHEMBL4614973

CCCc1ccccc1NC([O-])=S.NC([O-])=S.[Cu+2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL4615000 0.91 ALDH1A1 (0.44) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL4612130 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL3901779 0.88 LIPG (0.45) ALDH1A1MAPTGAAGRIN2DGRIN3B
Zinc Ion SCHEMBL137278 0.88 ALDH1A1 (0.44) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL3889804 0.87 MAPT (0.61) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL3925470 0.85 LIPG (0.45) ALDH1A1MAPTGAAGRIN2DGRIN3B
Zinc Ion SCHEMBL78993 0.84 MAPT (0.61) ALDH1A1MAPTGAAGRIN2DGRIN3B
Zinc Ion SCHEMBL941802 0.84 ALDH1A1 (0.37) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL31126451 0.83 ALDH1A1 (0.51) ALDH1A1MAPTGAAGRIN2DGRIN3B
SCHEMBL6920737 0.83 ALDH1A1 (0.51) ALDH1A1MAPTGAAGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040242826-A1 Process for producing easily polymerizable substance NIPPON SHOKUBAI CO., LTD. (JP) 2004-12-02 — — US disclosed
EP-1162192-B1 Method for preventing polymerization of olefinic monomers and method for the production thereof NIPPON CATALYTIC CHEM IND (JP) 2004-09-29 — — EP 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
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