SCHEMBL4609562

SCHEMBL4609562

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
LPAR3 Q9UBY5 7/20 0.44
LPAR2 Q9HBW0 5/20 0.44
LPAR1 Q92633 3/20 0.44
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2982691 0.88 ALDH1A1 (0.37) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL4610930 0.79 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL2984366 0.79 CA12 (0.45) CYP3A4TSHRALDH1A1GAACA12
SCHEMBL4609606 0.78 CA2 (0.49) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL17956594 0.77 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4609569 0.77 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4612047 0.75 CYP3A4 (0.62) CYP3A4TSHRALDH1A1ATMCA2
SCHEMBL4609067 0.75 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
Methyl Dibutoxyphosphinecarboxylate Oxide SCHEMBL2240082 0.73 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4610186 0.73 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1TSHR

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