Butanone

Butanone

SCHEMBL8530458

CCC(C)(OO)OOC(C)(CC)OO.CCC(C)=O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 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
SCHEMBL11313847 0.87 TSHR (0.67) TSHRALDH1A1TDP1GAA
Ethaneperoxoic Acid SCHEMBL11256563 0.86 TSHR (0.73) TSHRALDH1A1GAA
SCHEMBL28212951 0.85 TSHR (1.00) TSHRALDH1A1TDP1
SCHEMBL15306 0.85 TSHR (1.00) TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL28094743 0.83 TSHR (0.94) TSHRALDH1A1TDP1
SCHEMBL28246539 0.83 TSHR (0.94) TSHRALDH1A1TDP1
Hydrogen Peroxide SCHEMBL11767460 0.83 TSHR (0.94) TSHRALDH1A1TDP1
SCHEMBL1928722 0.83 TSHR (0.94) TSHRALDH1A1TDP1
SCHEMBL10420326 0.83 TSHR (0.94) TSHRALDH1A1TDP1
SCHEMBL18660313 0.80 TSHR (0.70) TSHR

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
US-5725906-A PIPE LINER UNION OIL COMPANY OF CALIFORNIA (US) 1998-03-10 US claimed