Butanone

Butanone

SCHEMBL28912403

CCC(C)=O.CN(OCCO)OCCO

nearest known ligand 0.46

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.30

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
Acetic Acid SCHEMBL11055559 0.86 FFAR3 (0.35) ALDH1A1TSHR
Propionic Acid SCHEMBL28719051 0.84 FFAR3 (0.43) ALDH1A1
Bicarbonate SCHEMBL28184042 0.83 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL17607 0.83 TSHR (0.39) ALDH1A1TSHR
Bromide SCHEMBL8460965 0.80 TSHR (0.37) ALDH1A1TSHR
Fluoride SCHEMBL1811141 0.80 TSHR (0.37) ALDH1A1TSHR
Fluoride SCHEMBL28910326 0.80 TSHR (0.37) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL1170676 0.80 TSHR (0.37) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8075611 0.80 TSHR (0.37) ALDH1A1TSHR
Ethylene Glycol SCHEMBL28558188 0.80 TSHR (0.37) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466624-A Surfactant with good fluidity at low temperature and preparation process thereof 宋子云 2022-12-13 CN claimed
CN-116219795-A High-waterproof burst-resistant bobbin base paper and preparation method thereof 江苏茂森纸业有限公司 2023-06-06 CN disclosed
CN-115816961-A Terylene waterproof composite fabric 浙江东进新材料有限公司 2023-03-21 CN disclosed
CN-115466624-A Surfactant with good fluidity at low temperature and preparation process thereof 宋子云 2022-12-13 CN disclosed