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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20569263

NC(CO)C(=O)Nc1cccc(OCc2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK3 Q15120 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ LTA4H P09960 7/20 0.56
▸ AS3MT Q9HBK9 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL20570047 0.87 F10 (0.58) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL20570050 0.87 F10 (0.58) PDK1PDK2PDK3PDK4LTA4H
Trifluoroacetic Acid SCHEMBL20570274 0.87 HTT (0.48) PDK1PDK2PDK3PDK4AS3MT
Trifluoroacetic Acid SCHEMBL20568992 0.86 HDAC3 (0.54) AS3MT
Trifluoroacetic Acid SCHEMBL20568990 0.86 HDAC3 (0.54) AS3MT
SCHEMBL20569262 0.85 LTA4H (0.57) PDK1PDK2PDK3PDK4LTA4H
Trifluoroacetic Acid SCHEMBL5672774 0.84 TSHR (0.54) PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL20570014 0.82 S1PR1 (0.53) NR1H4
Trifluoroacetic Acid SCHEMBL5666468 0.82 S1PR1 (0.53) NR1H4
SCHEMBL14456427 0.81 LTA4H (0.60) LTA4HNR1H4

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-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 — — WO disclosed