SCHEMBL4610641

SCHEMBL4610641

C=CC(=O)P(=O)(OC(C)C)OC(C)C.C=CC(=O)P(=O)(OCCC)OCCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
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
SCHEMBL2984917 0.88 TSHR (0.39) TSHRHPGDALDH1A1
SCHEMBL4610947 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4610950 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4610952 0.78 TSHR (0.50) TSHRHPGDALDH1A1
SCHEMBL4611582 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4610930 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4610151 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4611284 0.74 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL4609828 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2988966 0.73 CA12 (0.44) TSHRHPGDALDH1A1

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