SCHEMBL4450985

SCHEMBL4450985

CCCCOP(=O)(C=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
LPAR3 Q9UBY5 5/20 0.45
LPAR1 Q92633 3/20 0.45
LPAR2 Q9HBW0 3/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28089281 0.93 LPAR3 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL4456017 0.85 MEN1 (0.39) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL9081299 0.81 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL777116 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11489186 0.77 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL23497169 0.76 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL23497133 0.76 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL779481 0.76 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL30531880 0.74 LPAR3 (0.59) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL6851777 0.74 LPAR3 (0.64) CYP3A4LPAR3LPAR1LPAR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 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
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US 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