SCHEMBL4611017

SCHEMBL4611017

CC1CC(C)OP(=O)(C(=O)C2CCCCC2)O1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4609326 0.85 TSHR (0.41) TSHRRECQLCES2CES1GAA
SCHEMBL4609923 0.82 RECQL (0.37) TSHRRECQLCES2CES1GAA
SCHEMBL4611242 0.81 TSHR (0.36) TSHRRECQLCES2CES1GAA
SCHEMBL4609177 0.72 CES2 (0.38) TSHRRECQLCES2CES1GAA
SCHEMBL4611357 0.71 CES2 (0.41) TSHRRECQLCES2CES1GAA
SCHEMBL4610262 0.69 CES2 (0.35) TSHRRECQLCES2CES1GAA
SCHEMBL4610507 0.67
SCHEMBL4612100 0.66 HPGD (0.42) TSHRPOLB
SCHEMBL4610781 0.65
SCHEMBL24931904 0.59 SMN1; SMN2 (0.32)

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 7 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-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