SCHEMBL3680080

SCHEMBL3680080

CC(Cl)C(=O)OCC(COC(=O)C(C)Cl)(COC(=O)C(C)Cl)COC(=O)C(C)Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
HIF1A Q16665 2/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL14601839 0.89 THRB (0.38) HTTMAPK1HIF1AGRIN2DGRIN3B
SCHEMBL4869174 0.83 GRIN2D (0.36) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7704994 0.81 HTT (0.58) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13346809 0.79 ALDH1A1 (0.41) HTTMAPK1HIF1AGRIN2DGRIN3B
SCHEMBL21811861 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL3681746 0.76 LMNA (0.35) ALDH1A1TSHR
SCHEMBL23130374 0.75 GRIN2D (0.49) HTTMAPK1HIF1AGRIN2DGRIN3B
SCHEMBL138723 0.75 HTT (0.34) HTTMAPK1HIF1AGRIN2DGRIN3B
SCHEMBL3135513 0.75 HTT (0.34) HTTMAPK1HIF1AGRIN2DGRIN3B
SCHEMBL322925 0.75 HTT (0.34) HTTMAPK1HIF1AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
US-8492511-B2 Process for the preparation of crosslinked nitroxide polymers PIOTREK CO., LTD. (JP) 2013-07-23 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
EP-2013240-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2009-01-14 EP disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 WO disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 WO disclosed
US-7157537-B2 α-Halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-02 US disclosed
US-7157537-B2 α-Halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-02 US disclosed