Butanone

Butanone

SCHEMBL28634079

CC(C)C#N.CCC(C)=O

nearest known ligand 0.56

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 1/20 0.50
FFAR3 O14843 1/20 0.33
TRPA1 O75762 1/20 0.32
MCL1 Q07820 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
Acetone SCHEMBL28634611 0.82
Butanone SCHEMBL2458814 0.79 ALDH1A1 (0.67) ALDH1A1TDP1TSHRFFAR3TRPA1
Butanone SCHEMBL5258344 0.79
Butanone SCHEMBL28534871 0.79
Acetic Acid SCHEMBL10915790 0.79
Butanone SCHEMBL28783274 0.78
Butanone SCHEMBL10736663 0.78 ALDH1A1 (0.91) ALDH1A1TDP1TSHRFFAR3TRPA1
Butanone SCHEMBL1141437 0.78
Bicarbonate SCHEMBL17023832 0.76
Butanone SCHEMBL457538 0.76

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-113419403-A Aqueous photosensitive resin and photoresist dry film thereof 江西惠美兴科技有限公司 2021-09-21 CN disclosed