Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8916303

CCSC[C@H]1CC[C@H](CN)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
DPP8 Q6V1X1 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
CYP2D6 P10635 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
DPP4 P27487 1/20 0.32
F11 P03951 2/20 0.32
KLKB1 P03952 2/20 0.32
HTR2C P28335 2/20 0.32
CHRM3 P20309 1/20 0.32
CES1 P23141 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
F2 P00734 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
Trifluoroacetic Acid SCHEMBL8901689 1.00 PLG (0.42) PLGPLATLMNADPP8DPP7
Trifluoroacetic Acid SCHEMBL8901701 0.81 HRH4 (0.31) DPP8DPP7
Trifluoroacetic Acid SCHEMBL8916314 0.81 HRH4 (0.31) DPP8DPP7
Trifluoroacetic Acid SCHEMBL8906248 0.73 PLG (0.44) PLGPLATLMNADPP8DPP7
Trifluoroacetic Acid SCHEMBL8892641 0.73 CHRM3 (0.40) PLGPLATLMNAF11KLKB1
SCHEMBL2045009 0.72
SCHEMBL5210176 0.72
Trifluoroacetic Acid SCHEMBL3377548 0.70 PLG (0.44) PLGPLATLMNACYP2D6F11
Trifluoroacetic Acid SCHEMBL1958022 0.70 PLG (0.40) PLGPLATLMNADPP8DPP7
Trifluoroacetic Acid SCHEMBL22362316 0.69 PLG (0.42) PLGPLATLMNACYP2D6F11

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed