Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28628498

O=C(O)C(F)(F)F.O=C(O)CNCCc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
FFAR1 O14842 1/20 0.50
MLYCD O95822 1/20 0.50
DPP7 Q9UHL4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 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
SCHEMBL157742 0.89 KEAP1 (0.59) KEAP1FFAR1DPP7ALDH1A1KDM4E
SCHEMBL27759805 0.88 KEAP1 (0.57) KEAP1FFAR1DPP7ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10493762 0.88 MAPT (0.59) KEAP1FFAR1DPP7ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL30364352 0.83 HDAC3 (0.51) KEAP1FFAR1DPP7ALDH1A1HDAC3
Phenyl Propionic Acid SCHEMBL27428011 0.82 KEAP1 (0.79) KEAP1FFAR1ALDH1A1HDAC3HDAC4
Phenyl Propionic Acid SCHEMBL27403516 0.80 KEAP1 (0.76) KEAP1FFAR1ALDH1A1HDAC3HDAC4
SCHEMBL31688487 0.80 MEN1 (0.57) FFAR1KDM4EHDAC1HDAC8TAAR1
SCHEMBL25360940 0.79 FFAR1 (0.65) FFAR1HDAC1HDAC2GAA
SCHEMBL158734 0.79 SIGMAR1 (0.67) KEAP1HDAC3HDAC4HDAC1HDAC6
SCHEMBL31688836 0.78 KDM4E (0.59) FFAR1KDM4EHDAC1MAPTHDAC8

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-113366107-A Antibacterial antisense agents 佩达尼斯治疗有限公司 2021-09-07 CN disclosed