SCHEMBL3965401

SCHEMBL3965401

CCCCOP(=O)([O-])OCCCC.CCCCOP(=O)([O-])OCCCC.[Fe+2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
AKT1 P31749 3/20 0.60
CDC25A P30304 2/20 0.60
LMNA P02545 2/20 0.60
ESR1 P03372 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
AGTR1 P30556 1/20 0.60
ADRA1A P35348 1/20 0.60
KCNH2 Q12809 1/20 0.60
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
TSHR P16473 1/20 0.46
TERT O14746 1/20 0.45
UCHL3 P15374 1/20 0.45
MAPK14 Q16539 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PRKD3 O94806 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
Potassium Ion SCHEMBL7156030 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL641062 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL4639710 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL11675849 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL3240611 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL23112858 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL9584746 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL16371727 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL11675710 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1
SCHEMBL3967255 0.95 CYP3A4 (0.61) CYP3A4AKT1CDC25ALMNAESR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4056588-A Bonded particulate ceramic materials and their manufacture IMI (TAMI) INSTITUTE FOR RESEARCH AND DEVELOPMENT (IL) 1977-11-01 US claimed
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-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-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
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
US-4056588-A Bonded particulate ceramic materials and their manufacture IMI (TAMI) INSTITUTE FOR RESEARCH AND DEVELOPMENT (IL) 1977-11-01 US disclosed
US-3987145-A TRIBUTYL PHOSPHATE AND ITS DEGRADATION PRODUCTS AS EXTRACTANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) 1976-10-19 US disclosed