SCHEMBL9928673

SCHEMBL9928673

COCC(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP2D6 P10635 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC6A3 Q01959 3/20 0.45
LMNA P02545 2/20 0.45
HTR1A P08908 1/20 0.45
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.42

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
SCHEMBL28377430 0.86 CYP2D6 (0.50) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL1785409 0.86 MAPK1 (0.65) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL263461 0.83 TDP1 (0.58) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL444728 0.81 CYP2D6 (0.61) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL5085501 0.81 CYP2D6 (0.53) TSHRCYP2D6MAPK1HIF1ACYP1A2
Hydrogen Peroxide SCHEMBL28730771 0.81 CYP2D6 (0.61) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL2804706 0.80 CYP2D6 (0.51) TSHRCYP2D6MAPK1HIF1ACYP1A2
Water SCHEMBL5946543 0.80 CYP2D6 (0.59) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL726575 0.80 CYP2D6 (0.51) TSHRCYP2D6MAPK1HIF1ACYP1A2
SCHEMBL11637934 0.80 CYP2D6 (0.51) TSHRCYP2D6MAPK1HIF1ACYP1A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434796-B2 Catalyst composition with alkoxyalkyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-09-06 US disclosed
US-9434796-B2 Catalyst composition with alkoxyalkyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-09-06 US disclosed
US-9434796-B2 Catalyst composition with alkoxyalkyl ester internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-09-06 US disclosed
US-9382342-B2 Procatalyst composition with alkoxyalkyl 2-propenoate internal electron donor and polymer from same W. R. GRACE & CO.-CONN. (US) 2016-07-05 US disclosed
US-9315592-B2 Process for producing procatalyst composition with alkoxyalkyl ester internal electron donor and product W. R. GRACE & CO.-CONN. (US) 2016-04-19 US disclosed
US-9315592-B2 Process for producing procatalyst composition with alkoxyalkyl ester internal electron donor and product W. R. GRACE & CO.-CONN. (US) 2016-04-19 US disclosed
US-9315592-B2 Process for producing procatalyst composition with alkoxyalkyl ester internal electron donor and product W. R. GRACE & CO.-CONN. (US) 2016-04-19 US disclosed
EP-2655435-B1 PROCATALYST COMPOSITION WITH ALKOXYALKYL 2-PROPENOATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME GRACE W R & CO (US) 2015-09-23 EP disclosed
US-20140046009-A1 Procatalyst Composition with Alkoxyalkyl 2-Propenoate Internal Electron Donor and Polymer from Same W. R. GRACE & CO.-CONN. 2014-02-13 US disclosed
US-8604146-B2 Catalyst composition with alkoxyalkyl ester internal electron donor and polymer from same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
WO-2012087527-A1 PROCESS FOR PRODUCING PROCATALYST COMPOSITION WITH ALKOXYALKYL ESTER INTERNAL ELECTRON DONOR AND PRODUCT DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed
WO-2012087536-A1 PROCATALYST COMPOSITION WITH ALKOXYALKYL 2-PROPENOATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed
WO-2012087531-A1 CATALYST COMPOSITION WITH ALKOXYALKYL ESTER INTERNAL ELECTRON DONOR AND POLYMER FROM SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed
US-20120157642-A1 Catalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Polymer from Same W.R. GRACE & CO.-CONN. 2012-06-21 US disclosed
US-20120157643-A1 Procatalyst Composition with Alkoxyalkyl 2-Propenoate Internal Electron Donor and Polymer from Same W.R. GRACE & CO.-CONN. 2012-06-21 US disclosed
US-20120157642-A1 Catalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Polymer from Same W.R. GRACE & CO.-CONN. 2012-06-21 US disclosed
US-20120157295-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product W. R. GRACE & CO. - CONN. 2012-06-21 US disclosed
US-20120157295-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product W. R. GRACE & CO. - CONN. 2012-06-21 US disclosed
US-20120157642-A1 Catalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Polymer from Same W.R. GRACE & CO.-CONN. 2012-06-21 US disclosed
US-20120157295-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product W. R. GRACE & CO. - CONN. 2012-06-21 US disclosed