SCHEMBL673226

SCHEMBL673226

CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Fe+2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 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
Zinc Ion SCHEMBL768293 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL362089 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Lithium Ion SCHEMBL1461667 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417628 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
Potassium Ion SCHEMBL3291106 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9417629 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1449865 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL6064041 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1025105 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL15462 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2

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 59 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-20080108771-A1 Redox polymerization method, water-absorbent resin composite, and absorbent article HIMORI SHUNICHI 2008-05-08 US disclosed
EP-0994128-B1 Process and iron-based catalyst composition for the production of syndiotactic 1,2-polybutadiene BRIDGESTONE CORP (JP) 2007-08-01 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-20060252899-A1 Redox polymerization method, water-absorbent resin composite, and absorbent article MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-09 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
WO-2001049755-A1 IRON-BASED CATALYST FOR PRODUCING BINARY Cis-1,4-/1,2-POLYBUTADIENE 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-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-6180734-B1 CATALYST COMPOSITION OF AN IRON-CONTAINING COMPOUND, A CYCLIC HYDROGEN PHOSPHITE AND AN ORGANOALUMINUM COMPOUND; HIGH CATALYTIC ACTIVITY AND STEREOSELECTIVITY BRIDGESTONE CORPORATION (JP) 2001-01-30 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
EP-0994129-A1 Iron-based catalyst composition and process for producing syndiotactic 1,2-polybutadiene Bridgestone Corporation (JP) 2000-04-19 EP disclosed
EP-0994128-A1 Process and iron-based catalyst composition for the production of syndiotactic 1,2-polybutadiene Bridgestone Corporation (JP) 2000-04-19 EP disclosed
EP-0994130-A1 Process for producing syndiotactic 1,2-polybutadiene and iron-based catalyst composition for use therein Bridgestone Corporation (JP) 2000-04-19 EP disclosed