SCHEMBL4609944

SCHEMBL4609944

C=C(C)C(=O)P(=O)(OCCCC)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 8/20 0.47
LPAR2 Q9HBW0 6/20 0.47
LPAR1 Q92633 3/20 0.47
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.37

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
SCHEMBL27480779 0.88 TSHR (0.37) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL14390538 0.82 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL491379 0.79 CA12 (0.44) TSHRALDH1A1
SCHEMBL10395336 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4609569 0.79 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL27812990 0.79 LPAR3 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
Methacrylic Acid SCHEMBL27706342 0.79 LPAR3 (0.60) CYP3A4LPAR3LPAR2LPAR1TSHR
Methacrylic Acid SCHEMBL2481844 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4611284 0.78 ALDH1A1 (0.31) LPAR3LPAR2LPAR1TSHRALDH1A1
SCHEMBL10395300 0.77 CYP3A4 (0.48) 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-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene 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