SCHEMBL4610697

SCHEMBL4610697

CCCCOP(=O)(OCCCC)C(=O)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.47
LTA4H P09960 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL18177963 0.94 FAAH (0.51) FAAHTSHR
SCHEMBL1563400 0.83 NR1I2 (0.51)
SCHEMBL18177969 0.80 CYP2C9 (0.39) TSHR
SCHEMBL4611039 0.79 CYP3A4 (0.51) FAAHTSHR
SCHEMBL18182328 0.78 NPC1 (0.47)
SCHEMBL4611182 0.78 ALDH1A1 (0.50) TSHR
SCHEMBL27514318 0.77 CETP (0.56) TSHR
SCHEMBL4610119 0.76 ALDH1A1 (0.44)
SCHEMBL4612087 0.76 CYP3A4 (0.42) TSHR
SCHEMBL4611213 0.76 TSHR (0.55) TSHR

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