Acetone

Acetone

SCHEMBL28055165

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL15276 0.98 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5446210 0.98 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL28244848 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Hydrogen Sulfide SCHEMBL329768 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Methane SCHEMBL28107267 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23437 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17201482 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29961454 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29962797 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Methyl Alcohol SCHEMBL28135982 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114414440-B Method for manufacturing polyacrylamide gel substrate with single cell pattern array 北京大学 2024-03-22 CN disclosed
CN-114414440-A Method for manufacturing polyacrylamide gel substrate with single cell pattern array 北京大学 2022-04-29 CN disclosed
CN-105688857-A Preparation method of clonazepam molecular imprinting stirring rod coating 南京医科大学 2016-06-22 CN disclosed