SCHEMBL28607396

SCHEMBL28607396

C=CC(=O)OCCC[Si](OC)(OC)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL3896846 0.92 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL71730 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
Methane SCHEMBL28113061 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28208777 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
Ethylene SCHEMBL22126280 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28323519 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL441818 0.85 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28599660 0.84 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
Acetone SCHEMBL28485433 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7715703 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116000305-B Preparation method of large-size amorphous soft magnetic composite powder 杭州屹通新材料股份有限公司 2024-10-29 CN disclosed
CN-109244334-B Lithium-sulfur battery, diaphragm thereof and preparation method of diaphragm 安徽金力新能源有限公司 2021-08-24 CN disclosed