Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3665235

COc1ccc(CCNC(=O)C2(N)CCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51
TAAR1 Q96RJ0 2/20 0.49
ALDH1A1 P00352 2/20 0.49
FPR2 P25090 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
PTPN1 P18031 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3915618 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3TAAR1ALDH1A1
Trifluoroacetic Acid SCHEMBL7104230 0.79 SMN1; SMN2 (0.56) SMN1; SMN2TAAR1ALDH1A1FPR2GLA
Trifluoroacetic Acid SCHEMBL5072989 0.78 SMN1; SMN2 (0.56) SMN1; SMN2TAAR1ALDH1A1FPR2GLA
SCHEMBL3923220 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CHRM5CHRM3ALDH1A1GLA
SCHEMBL140038 0.76 SMN1; SMN2 (0.67) SMN1; SMN2TAAR1ALDH1A1FPR2GLA
SCHEMBL8747064 0.76 CHRM5 (0.79) SMN1; SMN2CHRM5CHRM3TAAR1ALDH1A1
Trifluoroacetic Acid SCHEMBL7943506 0.75 SMN1; SMN2 (0.51) SMN1; SMN2TAAR1ALDH1A1FPR2GLA
Trifluoroacetic Acid SCHEMBL5072979 0.75 SMN1; SMN2 (0.52) SMN1; SMN2TAAR1ALDH1A1KMT2A
SCHEMBL31697584 0.74 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3TAAR1ALDH1A1
SCHEMBL5148282 0.73 CHRM5 (0.48) SMN1; SMN2CHRM5CHRM3TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234983-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009079630-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed