Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4531900

CN(C)CCOc1cc(S(C)(=O)=O)ccc1-c1ccc2c(c1)COC(C1CCN(C(=O)OCc3ccccc3)CC1)O2.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
TRPC3 Q13507 2/20 0.35
TRPC7 Q9HCX4 2/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
F13A1 P00488 2/20 0.33
TGM2 P21980 2/20 0.33
TGM1 P22735 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
SLC6A9 P48067 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL4354140 0.96 SMN1; SMN2 (0.36) GPR119TRPC3TRPC7PTGDR2TMEM97
Trifluoroacetic Acid SCHEMBL4538218 0.89 TGM2 (0.34) GPR119TRPC3TRPC7F13A1TGM2
SCHEMBL4355151 0.84 TGM2 (0.36) TRPC3TRPC7F13A1TGM2TGM1
SCHEMBL4350023 0.84 SMN1; SMN2 (0.40) GPR119TRPC3TRPC7F13A1TGM2
SCHEMBL4533901 0.84 SMN1; SMN2 (0.39) GPR119TRPC3TRPC7F13A1TGM2
SCHEMBL4526460 0.83 SMN1; SMN2 (0.43) TRPC3TRPC7F13A1TGM2TGM1
Trifluoroacetic Acid SCHEMBL4531639 0.83 GPR119 (0.34) GPR119TRPC3TRPC7F13A1TGM2
SCHEMBL4358448 0.82 NPC1 (0.41) GPR119TRPC3TRPC7F13A1TGM2
Trifluoroacetic Acid SCHEMBL4521875 0.82 TRPV4 (0.40) GPR119TRPC3TRPC7F13A1TGM2
SCHEMBL4347881 0.80 GPR119 (0.42) GPR119TRPC3TRPC7F13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed