SCHEMBL2362750

SCHEMBL2362750

CCOCC(O)OCCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL28928722 0.91 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL11489974 0.90 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL8393450 0.88 HSD17B10 (0.44) ALDH1A1TSHRHSD17B10TDP1USP2
SCHEMBL11439282 0.84 HSD17B10 (0.46) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL1450274 0.84 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10TDP1THRB
SCHEMBL5980539 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL9488328 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPK1TDP1
Diethylene Glycol Monoethyl Ether SCHEMBL1076753 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL8537650 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL28092556 0.83 TSHR (0.45) ALDH1A1TSHRHSD17B10MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130118238-A1 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS ABBOTT GMBH & CO. KG (DE) 2013-05-16 US claimed
EP-2536393-A2 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS Abbott GmbH & Co. KG (DE) 2012-12-26 EP claimed
WO-2011101352-A2 TEST SOLVENT FOR EVALUATING THE COMPATIBILITY OF BIOLOGICALLY ACTIVE SUBSTANCES AND GRAFT COPOLYMERS ABBOTT GMBH & CO. KG (DE) 2011-08-25 WO claimed
US-4204972-A Hydraulic fluids comprising nitrogen-containing boric acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-27 US disclosed