SCHEMBL3961962

SCHEMBL3961962

CCCCCCCCOP(=O)([O-])CCCCCCCC.CCCCCCCCOP(=O)([O-])CCCCCCCC.[Fe+2]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.53
LPAR2 Q9HBW0 6/20 0.53
LPAR1 Q92633 2/20 0.53
AKT1 P31749 2/20 0.51
CDC25A P30304 2/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AGTR1 P30556 1/20 0.51
ADRA1A P35348 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP3A4 P08684 1/20 0.45
TERT O14746 1/20 0.43
UCHL3 P15374 1/20 0.43
MAPK14 Q16539 1/20 0.43
FAAH O00519 1/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL3961532 1.00 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL3966224 1.00 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL3962795 1.00 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL3959389 1.00 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL3961918 1.00 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL3968381 0.98 LPAR3 (0.50) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL673478 0.96 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL673600 0.96 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL673579 0.96 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A
SCHEMBL672075 0.96 LPAR3 (0.53) LPAR3LPAR2LPAR1AKT1CDC25A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1476480-A1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-11-17 EP 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-2003072617-A1 POLYMERIZATION PROCESS FOR PREPARING SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-09-04 WO disclosed
US-20030166802-A1 Polymerization process for preparing syndiotactic 1,2-polybutadiene BRIDGESTONE CORP. 2003-09-04 US disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US disclosed
WO-2002066554-A1 MANUFACTURE OF BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2002-08-29 WO disclosed
US-6433237-B1 USING COORDINATION CATALYST BRIDGESTONE CORPORATION (JP) 2002-08-13 US disclosed