SCHEMBL28569697

SCHEMBL28569697

C/C=C(/C)C(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 1/20 0.35
THRB P10828 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GLO1 Q04760 1/20 0.31
ALDH1A1 P00352 3/20 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
SCHEMBL285423 1.00 TSHR (0.43) TSHRACHETHRBMGLLCHRM5
SCHEMBL15637 1.00 TSHR (0.43) TSHRACHETHRBMGLLCHRM5
SCHEMBL5870616 0.98 TSHR (0.41) TSHRACHETHRBMGLLCHRM5
Cyclopropane SCHEMBL1979200 0.94 TSHR (0.39) TSHRACHETHRBMGLLALDH1A1
Ethylene Glycol SCHEMBL5974618 0.91 THRB (0.38) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL28087290 0.88 THRB (0.52) TSHRACHETHRBALDH1A1
SCHEMBL6278553 0.88 TSHR (0.44) TSHRACHETHRB
SCHEMBL2340826 0.87 THRB (0.41) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL418569 0.87 THRB (0.41) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL20994132 0.87 MEN1 (0.44) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107591085-B Window, display device comprising same and manufacturing method of window 三星显示有限公司 2021-05-25 CN disclosed