SCHEMBL4611242

SCHEMBL4611242

CC1CCOP(=O)(C(=O)C2CCCCC2)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4609923 0.85 RECQL (0.37) TSHRRECQLCES2CES1GAA
SCHEMBL4611017 0.81 TSHR (0.39) TSHRRECQLCES2CES1GAA
SCHEMBL4611357 0.78 CES2 (0.41) TSHRRECQLCES2CES1GAA
SCHEMBL4611406 0.77 ALDH1A1 (0.33) TSHRALDH1A1MAPTHPGDALOX15
SCHEMBL4609326 0.77 TSHR (0.41) TSHRRECQLCES2CES1GAA
SCHEMBL4610644 0.72 ALDH1A1 (0.32) TSHRALDH1A1MAPTHPGDALOX15
SCHEMBL4611568 0.71 ALDH1A1 (0.31) TSHRALDH1A1MAPTHPGDALOX15
SCHEMBL4610262 0.69 CES2 (0.35) TSHRRECQLCES2CES1GAA
SCHEMBL4609177 0.68 CES2 (0.38) TSHRRECQLCES2CES1GAA
SCHEMBL4612260 0.67

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