Butanone

Butanone

SCHEMBL9511587

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
FFAR3 O14843 1/20 0.33
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
SCHEMBL3828880 0.83 TDP1 (0.56) ALDH1A1TDP1FFAR3
Alcohol SCHEMBL8986304 0.82 TSHR (0.38) ALDH1A1TDP1FFAR3
Acetone SCHEMBL5322639 0.82 LMNA (0.43) ALDH1A1TDP1FFAR3
SCHEMBL79569 0.82 TP53 (0.35) ALDH1A1TDP1
Acetic Acid SCHEMBL6444292 0.79 FFAR3 (0.47) ALDH1A1TDP1FFAR3
Hydrogen Peroxide SCHEMBL8161423 0.78 TP53 (0.41) FFAR3
Methyl Alcohol SCHEMBL8058445 0.78 TP53 (0.33)
Propanol SCHEMBL15333015 0.78 TSHR (0.32) ALDH1A1TDP1
Heptane SCHEMBL1007912 0.76 CES2 (0.46) ALDH1A1TDP1
Hexane SCHEMBL9857695 0.76 CA1 (0.43) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341053-B1 Semi-polar hyperdispersants for pigment bases SUN CHEMICAL CORP (US) 1993-12-15 EP disclosed
US-4971626-A DISPERSION OF SOLID PIGMENTS FOR INKS SUN CHEMICAL CORPORATION (US) 1990-11-20 US disclosed
US-4882436-A DISPERSANTS SUN CHEMICAL CORPORATION (US) 1989-11-21 US disclosed
EP-0341053-A1 Semi-polar hyperdispersants for pigment bases SUN CHEMICAL CORPORATION (US) 1989-11-08 EP disclosed
US-4224212-A POLYALKYLENEIMINE-POLYESTERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-23 US disclosed