SCHEMBL4609036

SCHEMBL4609036

CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.[Fe+2]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
FDPS P14324 3/20 0.42
GGPS1 O95749 2/20 0.41
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 4/20 0.41
FAAH O00519 1/20 0.40
LAP3 P28838 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.39

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
SCHEMBL151564 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL673088 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL640949 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL672990 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL672988 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL25423612 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL19858474 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
SCHEMBL4612150 0.96 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1
Zinc Ion SCHEMBL2183109 0.88 FDPS (0.39) SMPD1FDPSGGPS1TRPM8
SCHEMBL28727428 0.85 SMPD1 (0.47) SMPD1FDPSGGPS1S1PR2S1PR1

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 15 patents. 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
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
US-6320004-B1 FORMED BY COMBINING (A) A IRON-CONTAINING COMPOUND; (B) AN ORGANOMAGNESIUM COMPOUND; AND (C) A SILYL PHOSPHONATE; POLYMERIZING CONJUGATED DIENE MONOMERS BRIDGESTONE CORPORATION (JP) 2001-11-20 US disclosed