SCHEMBL3961976

SCHEMBL3961976

CCCCOP(=O)([O-])CCCC.CCCCOP(=O)([O-])CCCC.CCCCOP(=O)([O-])CCCC.[Fe+3]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LPAR3 Q9UBY5 4/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CDC25A P30304 1/20 0.42
AGTR1 P30556 1/20 0.42
AKT1 P31749 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL672324 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL28904367 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL639062 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL153474 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL3967242 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL14975431 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL7612294 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL672326 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL672113 0.96 CYP3A4 (0.54) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL7121474 0.89 LPAR3 (0.50) CYP3A4LPAR3LPAR1LPAR2LMNA

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 14 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-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
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-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 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
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