SCHEMBL4609034

SCHEMBL4609034

CCCCCCC(C)OP(=O)(O)OC(C)CCCCCC.[Fe]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.56
FDPS P14324 5/20 0.52
S1PR2 O95136 5/20 0.49
S1PR1 P21453 5/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR4 O95977 4/20 0.49
LAP3 P28838 2/20 0.48
PTPN1 P18031 1/20 0.45
FAAH O00519 4/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 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
SCHEMBL3797731 0.98 SMPD1 (0.58) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL9484333 0.98 SMPD1 (0.58) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3821685 0.98 SMPD1 (0.58) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL329612 0.98 SMPD1 (0.58) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL213777 0.96 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL673087 0.96 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL672989 0.96 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4260343 0.96 SMPD1 (0.56) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3813612 0.96 SMPD1 (0.55) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3823543 0.90 FDPS (0.50) SMPD1FDPSS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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