Acetone

Acetone

SCHEMBL6898104

CC(C)=O.C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL30973629 0.89
SCHEMBL6054064 0.86
SCHEMBL29497620 0.84
SCHEMBL394834 0.84
SCHEMBL29907880 0.84
SCHEMBL3022283 0.83
SCHEMBL3117464 0.83
SCHEMBL3021204 0.83
SCHEMBL7455798 0.82
SCHEMBL29394013 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028119-B1 Process for producing tetrakisfluorophenylborate DOW CHEMICAL CO (US) 2004-05-26 EP disclosed
EP-0609452-B1 PROCESS FOR PRODUCING TETRAKISFLUOROPHENYLBORATE DOW CHEMICAL CO (US) 2002-04-03 EP disclosed
EP-1028119-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-16 EP disclosed
EP-1026169-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-09 EP disclosed
EP-1026168-A2 Process for producing tetrakisfluorophenylborate IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-08-09 EP disclosed
EP-0609452-A1 PROCESS FOR PRODUCING TETRAKISFLUOROPHENYLBORATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-08-10 EP disclosed