SCHEMBL4609160

SCHEMBL4609160

CC(=O)P(=O)(OCC(C)C)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
LAP3 P28838 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 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
SCHEMBL4609917 0.79 TSHR (0.34) TSHRCYP3A4GAAALDH1A1LAP3
SCHEMBL16996794 0.79 TSHR (0.39) TSHRCYP3A4GAAALDH1A1TDP1
SCHEMBL4612204 0.79 TSHR (0.48) TSHRCYP3A4GAAALDH1A1TDP1
SCHEMBL4610207 0.77 TSHR (0.33) TSHRCYP3A4GAAALDH1A1LAP3
SCHEMBL4610232 0.76 CYP3A4 (0.33) TSHRCYP3A4GAALAP3MEN1
SCHEMBL4611243 0.74 ALDH1A1 (0.33) TSHRCYP3A4GAAALDH1A1MEN1
SCHEMBL4611526 0.74 TSHR (0.48) TSHRCYP3A4GAALAP3
SCHEMBL18486457 0.73 MMP1 (0.47) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL4611474 0.73 TSHR (0.34) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL27944561 0.73 TSHR (0.32) TSHRCYP3A4GAAALDH1A1

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