SCHEMBL4609200

SCHEMBL4609200

CCCC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
FAAH O00519 8/20 0.31
CES1 P23141 6/20 0.31
CES2 O00748 3/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL2978260 0.84 HTT (0.34) HTTCA12CA1CA2CA9
SCHEMBL4609573 0.82 ALDH1A1 (0.33) ALDH1A1CES1CES2LMNATSHR
SCHEMBL2984011 0.77 CA12 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL2978635 0.75 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL3469649 0.75 HTT (0.37) HTTCA12CA1CA2CA9
SCHEMBL2687215 0.74 HTT (0.34) HTTALDH1A1PLA2G2CCA12CA1
SCHEMBL2240037 0.73 NPC1 (0.37) HTTALDH1A1CA12CA1CA2
SCHEMBL2237839 0.72 HTT (0.34) HTTALDH1A1CA12CA1CA2
SCHEMBL4610186 0.72 CYP3A4 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL4609292 0.72 HTT (0.34) HTT

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