SCHEMBL2961233

SCHEMBL2961233

C=C(CCOCCO)OC(=C)CCOCCO

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2968117 0.97 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL150764 0.80 TSHR (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL2474878 0.79 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL21174465 0.77 HSD17B10 (0.36) TSHR
SCHEMBL2967644 0.75 CA2 (0.31)
SCHEMBL1074759 0.74
SCHEMBL12944181 0.74 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL18040258 0.74 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2464962 0.74 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1THRB
SCHEMBL84208 0.74

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-7771526-B2 Ink jet aqueous ink, ink jet recording method, ink cartridge and ink jet recording apparatus CANON FINETECH INC. (JP) 2010-08-10 US disclosed
US-7481525-B2 Ink-jet water-based ink, ink-jet recording method, ink cartridge and ink-jet recording apparatus CANON FINETECH INC. (JP) 2009-01-27 US disclosed
US-20070105980-A1 INK JET AQUEOUS INK, INK JET RECORDING METHOD, INK CARTRIDGE AND INK JET RECORDING APPARATUS CANON FINETECH INC. (JP) 2007-05-10 US disclosed
US-20060192826-A1 Ink-jet water-based ink, ink-jet recording method, ink cartridge and ink-jet recording apparatus CANON FINETECH INC. (JP) 2006-08-31 US disclosed