Butanone

Butanone

SCHEMBL8748901

CCC(C)=O.COC(C)OC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 3/20 0.56
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
FFAR3 O14843 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOAT1 P35610 1/20 0.32
TRPA1 O75762 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
Acetone SCHEMBL593191 0.82 LMNA (0.43) ALDH1A1TDP1MGAMGAASI
Propionamide SCHEMBL10434987 0.81 ALOX15 (0.36) ALDH1A1TDP1TSHRLMNAFFAR3
Acetic Acid SCHEMBL10711426 0.79 FFAR3 (0.47) ALDH1A1TDP1MGAMGAASI
Methyl Isobutyl Ketone SCHEMBL15440343 0.79 ALDH1A1 (0.70) ALDH1A1TDP1MGAMGAASI
Butanone SCHEMBL8059306 0.78
Ethyl Acetate SCHEMBL10555385 0.77 ALDH1A1 (0.67) ALDH1A1TDP1MGAMGAASI
Acetamide SCHEMBL11118916 0.77 LMNA (0.50) ALDH1A1TDP1TSHRLMNA
Butanone SCHEMBL3163812 0.76 LMNA (0.63) ALDH1A1TDP1TSHRLMNAFFAR3
Butanone SCHEMBL457538 0.76
Alcohol SCHEMBL2204414 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed