SCHEMBL673531

SCHEMBL673531

CCOC(=S)[S-].CCOC(=S)[S-].CCOC(=S)[S-].[Fe+3]

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.94
CA1 P00915 13/20 0.94
CA2 P00918 13/20 0.94
CA9 Q16790 13/20 0.94
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA4 P22748 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
SOAT1 P35610 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL16563058 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL16414277 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL11516152 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
Silver SCHEMBL25180982 0.94
SCHEMBL672728 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL25264672 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL672013 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL9244731 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL640832 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1
SCHEMBL7635529 0.94 CA12 (0.94) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035908-B1 Process for preparing blends of trans-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-07-31 US disclosed
US-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed
EP-1476480-B1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2009-07-22 EP disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
US-20070161748-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC, 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION 2007-07-12 US disclosed
US-20040242780-A1 using a catalyst that is based on a chromium-containing compound, a hydrogen phosphite, and an organomagnesium compound, or a catalyst based on a molybdenum or iron-compound, a hydrogen phosphite and organoaluminum compound; tire sidewalls; obviates the need for high-temperature mixing BRIDGESTONE CORPORATION (JP) 2004-12-02 US disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6720397-B2 Using supersaturation solutiton and iron coordination catalyst BRIDGESTONE CORPORATION (JP) 2004-04-13 US disclosed
US-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US disclosed
WO-2001049763-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS WITH AN IRON-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2001-07-12 WO disclosed
WO-2001049754-A1 CATALYST COMPOSITION AND PROCESS FOR CONTROLLING THE CHARACTERISTICS OF CONJUGATED DIENE POLYMERS BRIDGESTONE CORPORATION (JP) 2001-07-12 WO disclosed
WO-2001049755-A1 IRON-BASED CATALYST FOR PRODUCING BINARY Cis-1,4-/1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2001-07-12 WO disclosed
WO-2001049753-A1 PREPARATION OF CONJUGATED DIENE POLYMERS BY USING AN IRON-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2001-07-12 WO disclosed
US-20010007000-A1 Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with an iron-based catalyst system LUO STEVEN (US) 2001-07-05 US disclosed
WO-2001034669-A1 IRON-BASED CATALYST COMPOSITION AND PROCESS FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORPORATION (JP) 2001-05-17 WO disclosed
WO-2001032724-A1 IRON-BASED CATALYST FOR PRODUCING OLIGOMERS OF CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2001-05-10 WO disclosed
US-6211313-B1 COORDINATION COMPOUND OF IRON CONTAINING COMPOUND, PHOSPHITE AND ORGANOALUMINUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-04-03 US disclosed
US-6197888-B1 FORMED BY COMBINING AN IRON-CONTAINING COMPOUND, A HYDROGEN PHOSPHITE, AND AN ORGANOALUMINUM COMPOUND. BRIDGESTONE CORPORATION (JP) 2001-03-06 US disclosed
US-6160063-A Iron-based catalyst for producing binary cis-1,4-/1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2000-12-12 US disclosed