Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1395876

N[C@H](CC(=O)O)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CPA1 P15085 3/20 0.53
CPB1 P15086 1/20 0.51
CPA3 P15088 1/20 0.51
CPB2 Q96IY4 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
MMP2 P08253 3/20 0.47
SLC15A1 P46059 1/20 0.47
ANPEP P15144 1/20 0.47
DPP4 P27487 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CES1 P23141 1/20 0.46
LTA4H P09960 1/20 0.45
CYP1A2 P05177 1/20 0.44

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 SCHEMBL6157790 1.00 EPHX1 (0.53) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL287736 0.91 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL123055 0.91 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL197907 0.91 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL654577 0.89 EPHX1 (0.61) EPHX1CPA1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL654576 0.89 EPHX1 (0.61) EPHX1CPA1CPB1CPA3CPB2
Acetic Acid SCHEMBL6690172 0.86 ALPI (0.58) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL8622241 0.84 POLB (0.44) EPHX1CPA1CPB1CPA3CPB2
Trifluoroacetic Acid SCHEMBL6894530 0.83 CTRB1 (0.47) EPHX1CPA1ALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL28185089 0.83 CTRB1 (0.47) EPHX1CPA1ALPIPKMPTGS1

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
EP-2289905-A1 Peptides and peptidomimetics useful for inhibiting the activity of prostaglandin F2alpha receptor THERATECHNOLOGIES INC. (CA) 2011-03-02 EP disclosed