Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29019097

CC(C)O.N=C(N)N.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
F2 P00734 2/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
DPP8 Q6V1X1 3/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP4 P27487 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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 SCHEMBL29019096 0.93 TP53 (0.33) TP53F2NOS1NOS2DPP8
Trifluoroacetic Acid SCHEMBL29019093 0.87 TP53 (0.40) TP53NOS1NOS2DPP8DPP7
Trifluoroacetic Acid SCHEMBL3140803 0.87 TP53 (0.44) TP53DPP8DPP7DPP4ALDH1A1
Trifluoroacetic Acid SCHEMBL7764428 0.87 ACHE (0.38) TP53F2F11PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL2409655 0.87 ACHE (0.38) TP53F2F11PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL31438646 0.87 ACHE (0.38) TP53F2F11PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7793452 0.84 TP53 (0.42) TP53DPP8DPP7DPP4ALDH1A1
Trifluoroacetic Acid SCHEMBL1035693 0.84 TP53 (0.42) TP53DPP8DPP7DPP4ALDH1A1
Trifluoroacetic Acid SCHEMBL29019094 0.83 TP53 (0.33) TP53DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL20984227 0.82 TP53 (0.43) TP53F2F11PRSS1PRSS2

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
CN-115915795-A Perovskite solar cell containing double-layer trifluoroacetate modification layer and preparation method thereof 河北工业大学 2023-04-04 CN disclosed