SCHEMBL3279998

SCHEMBL3279998

O=S(=O)(c1ccccc1S)c1ccccc1S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTR6 P50406 5/20 0.39
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
MAPT P10636 3/20 0.37
CA6 P23280 3/20 0.37
CA9 Q16790 3/20 0.37
CA4 P22748 2/20 0.37
CA12 O43570 2/20 0.37
CYP2C9 P11712 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30948577 1.00 GAA (0.50) GAAKMT2AMEN1HTR6CA1
SCHEMBL944800 0.87 ALDH1A1 (0.46) GAAKMT2AMEN1MAPTCYP2C9
SCHEMBL943164 0.85 HTR6 (0.57) GAAKMT2AHTR6CA1CA2
SCHEMBL944099 0.79 BCAT2 (0.40) GAACA1CA2MAPTCA6
SCHEMBL1048970 0.79 TSHR (0.44) GAACA1CA2MAPTCA6
SCHEMBL1806991 0.79 CA2 (0.56) GAACA1CA2CA6CA9
SCHEMBL29644921 0.79 BCAT2 (0.40) GAACA1CA2MAPTCA6
SCHEMBL4613245 0.79 ALDH1A1 (0.44) GAAKMT2AMEN1HTR6CA1
SCHEMBL944801 0.79 GAA (0.56) GAAKMT2AMEN1HTR6CA1
SCHEMBL18421177 0.77 ALDH1A1 (0.42) GAAKMT2AMEN1HTR6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991600-B1 RESORCINOL-BLOCKED ISOCYANATE COMPOSITIONS AND THEIR APPLICATIONS INDSPEC CHEMICAL CORP (US) 2016-12-21 EP disclosed
CN-101395193-B Resorcinol resin-blocked isocyanates and their applications INDSPEC CHEMICAL CORP 2014-03-12 CN disclosed
WO-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed
US-7705088-B2 blocked isocyanate with hydroxy is derived from the reaction between a resorcinol compound and at least two different isocyanate compounds; improved adhesion of reinforcing materials to rubbers; used in fabric dipping formulations INDSPEC CHEMICAL CORPORATION (US) 2010-04-27 US disclosed
US-7700687-B2 Resorcinol resin-blocked isocyanates and their applications INDSPEC CHEMICAL CORPORATION (US) 2010-04-20 US disclosed
US-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
EP-1991600-A1 RESORCINOL-BLOCKED ISOCYANATE COMPOSITIONS AND THEIR APPLICATIONS INDSPEC CHEMICAL CORPORATION (US) 2008-11-19 EP disclosed
US-7445877-B2 Charge transport materials having a central disulfane linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-11-04 US disclosed
US-7432028-B2 Polymeric charge transport compositions SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-10-07 US disclosed
EP-0020679-B1 CATIONIC COATING COMPOSITIONS WYANDOTTE PAINT PRODUCS COMPANY (US) 1986-10-15 EP disclosed
US-RE31803-E REACTION PRODUCT OF FATTY ACID ESTER AND ACRYLIC MONOMER WITH OXIRANE COMPOUND AND AMINE WYANDOTTE PAINT PRODUCTS COMPANY (US) 1985-01-15 US disclosed
US-RE31616-E Cathodic electrodeposition coating compositions containing diels-alder adducts Wyandotte Paint Products (US) 1984-06-26 US disclosed
US-4339368-A Cationic coating compositions containing nitrogen heterocyclic materials WYANDOTTE PAINT PRODUCTS COMPANY (US) 1982-07-13 US disclosed
US-4246087-A Process for cationic electrodeposition GROW GROUP, INC. (US) 1981-01-20 US disclosed
EP-0020679-A1 CATIONIC COATING COMPOSITIONS. WYANDOTTE PAINT PROD (US) 1981-01-07 EP disclosed
US-4231907-A GLYCIDYL ACRYLATE POLYMER REACTED WITH FATTY ACID AND AMINE GROW GROUP INC. (US) 1980-11-04 US disclosed
WO-1980001071-A1 CATIONIC COATING COMPOSITIONS GROW GROUP INC (US) 1980-05-29 WO disclosed
US-4186117-A Cathodic electrodeposition coating compositions containing diels-alder adducts GROW CHEMICAL CORP. (US) 1980-01-29 US disclosed
US-4155824-A ACRYLIC POLYMER CONTAINING OXIRANE GROUPS WHICH HAVE BEEN OPENED WITH A FATTY ACID AND AN AMINE GROW CHEMICAL CORP. (US) 1979-05-22 US disclosed