SCHEMBL28449359

SCHEMBL28449359

C=CC(=O)OCOC(=O)C(=C)CCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 4/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 4/20 0.36
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
THRA P10827 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
Acrylic Acid Ethyl Ester SCHEMBL9457884 0.87 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5578122 0.87 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL4623822 0.85 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28671372 0.85 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7561557 0.83 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28463226 0.82 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17891310 0.82 TSHR (0.46) TSHRALDH1A1HSD17B10CES2CES1
SCHEMBL28311362 0.82 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2116376 0.81 TSHR (0.38) TSHRHPGDALDH1A1TP53ATM
SCHEMBL5374418 0.81 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109755438-B Battery diaphragm, preparation method thereof and lithium battery 比亚迪股份有限公司 2020-09-15 CN claimed
CN-115666948-A UV curable formulations containing dipropylene glycol diacrylate 巴斯夫欧洲公司 2023-01-31 CN disclosed
CN-106232881-B Polymer foam 弗纳技术股份有限公司 2020-12-08 CN disclosed
CN-109755438-B Battery diaphragm, preparation method thereof and lithium battery 比亚迪股份有限公司 2020-09-15 CN disclosed
CN-109713559-A A kind of blue phase liquid crystal film and its preparation method and application 中国科学院理化技术研究所 2019-05-03 CN disclosed