SCHEMBL4611239

SCHEMBL4611239

CCCCCCCCCC[PH](=O)[O-].CCCCCCCCCC[PH](=O)[O-].[Fe+2]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
ALDH1A1 P00352 3/20 0.39
EPHX2 P34913 1/20 0.36
DNM1 Q05193 4/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3960789 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3965387 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3967261 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3962748 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3962103 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3960795 0.97 CES2 (0.39) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL10901714 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL151312 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL640301 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3965768 0.94 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1

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