SCHEMBL17476629

SCHEMBL17476629

C=C(C)OCCOCCOC(=C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
MAPK1 P28482 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
SCHEMBL8994872 0.90 THRB (0.39) THRBTSHRALDH1A1HSD17B10TDP1
SCHEMBL28452305 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL941101 0.89 MEN1 (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28452748 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28495412 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19468345 0.89 MEN1 (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL896097 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL30865811 0.89 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28449470 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28627101 0.89 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A

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-20160046827-A1 FILM COMPRISING COPOLYMER OR COMPOSITION MITSUI CHEMICALS, INC. (JP) 2016-02-18 US disclosed
EP-2985301-A1 COPOLYMER AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2016-02-17 EP disclosed
EP-2985324-A1 FILM COMPRISING COPOLYMER OR COMPOSITION Mitsui Chemicals, Inc. (JP) 2016-02-17 EP disclosed
US-20160032036-A1 COPOLYMER AND HYDROPHILIC MATERIAL COMPOSED OF THE SAME MITSUI CHEMICALS, INC. (JP) 2016-02-04 US disclosed