SCHEMBL9777906

SCHEMBL9777906

C=C(C)C(=O)OCC(CCO)(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1492432 0.92 TSHR (0.41) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL13863373 0.91 THRB (0.42) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL6276101 0.88 THRB (0.40) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL57880 0.85 TSHR (0.52) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL6437280 0.84 THRB (0.50) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL2245821 0.84 TSHR (0.48) TSHRTHRBALDH1A1TP53CYP3A4
Ethylene Glycol SCHEMBL14740130 0.84 TSHR (0.44) TSHRTHRBALDH1A1TP53CYP3A4
Propanol SCHEMBL9227279 0.84 TSHR (0.50) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL60306 0.83 ALDH1A1 (0.50) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL33308 0.83 TSHR (0.47) TSHRTHRBALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526920-A Contains poly(meth)acrylic ester of oxy or polyoxyalkane polyol, polymerization initiator, filler MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-07-02 US claimed
WO-2007060125-A1 REACTIVE SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-05-31 WO disclosed
US-5023165-A Printing plate having photosensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1991-06-11 US disclosed
US-4828963-A Printing plate having photosensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1989-05-09 US disclosed
EP-0100688-B1 CURABLE COATING COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-04-22 EP disclosed
EP-0081964-B1 PHOTOSENSITIVE POLYMER COMPOSITION TORAY INDUSTRIES, INC. (JP) 1986-11-05 EP disclosed
US-4621044-A Photosensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1986-11-04 US disclosed
US-4526920-A Contains poly(meth)acrylic ester of oxy or polyoxyalkane polyol, polymerization initiator, filler MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-07-02 US disclosed
EP-0100688-A2 Curable coating composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-02-15 EP disclosed
EP-0081964-A2 Photosensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1983-06-22 EP disclosed