Acetone

Acetone

SCHEMBL5322639

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL79569 0.93 TP53 (0.35) TSHRALDH1A1TDP1SLC7A5TP53
Acetic Acid SCHEMBL6444292 0.90 FFAR3 (0.47) LMNATSHRALDH1A1TDP1SLC7A5
Methyl Alcohol SCHEMBL8058445 0.89 TP53 (0.33) SLC7A5TP53
Hydrogen Peroxide SCHEMBL8161423 0.89 TP53 (0.41) SLC7A5TP53FFAR3LCKFYN
Formaldehyde SCHEMBL79597 0.86 SLC7A5 (0.32) SLC7A5TP53
Isopropyl Alcohol SCHEMBL1325429 0.86 ALDH1A1 (0.43) LMNAALDH1A1SLC7A5TP53
SCHEMBL10486769 0.83 ALDH1A1 (0.40) LMNATSHRALDH1A1SLC7A5TP53
Butanone SCHEMBL9511587 0.82 ALDH1A1 (0.56) ALDH1A1TDP1FFAR3
Alcohol SCHEMBL8986304 0.80 TSHR (0.38) TSHRALDH1A1TDP1FFAR3
SCHEMBL4092739 0.79 SLC7A5 (0.32) SLC7A5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096904-A2 IMPROVED PROCESS FOR THE PREPARATION OF TERBINAFINE HYDROCHLORIDE AND NOVEL CRYSTALLINE FORM OF TERBINAFINE SATYANARAYANA REDDY MANNE (IN) 2007-08-30 WO disclosed
US-5049237-A Organic ammonium ion exchanged ARMSTRONG WORLD INDUSTRIES, INC. (US) 1991-09-17 US disclosed
US-4990405-A High strength; waterproofing; gasket seals; dielectrics; dielectrics; papers, films, boards and laminates; construction materials ARMSTRONG WORLD INDUSTRIES, INC. (US) 1991-02-05 US disclosed
US-4877484-A ION EXCHANGING TO PROMOTE SWELLING; REACTING WITH DIAMINE ARMSTRONG WORLD INDUSTRIES, INC. (US) 1989-10-31 US disclosed
US-4851021-A Multi-ply composites and sheets of epoxy and flocced 2:1 layered silicates and methods for them ARMSTRONG WORLD INDUSTRIES, INC. (US) 1989-07-25 US disclosed
US-4423139-A SYNERGISTIC MIXTURE OF AROMATIC POLYOL, AROMATIC DIAMINE, OR AROMATIC OXYAMINE WITH 1-PHENYL-3-PYRAZOLIDINONE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-12-27 US disclosed
US-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 US disclosed