Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7973677

CCCCN1CCN(CCCC)C1F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
FUCA1 P04066 1/20 0.35
CES1 P23141 5/20 0.35
CES2 O00748 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CPB2 Q96IY4 1/20 0.35
GBA2 Q9HCG7 2/20 0.35
SLC1A2 P43004 1/20 0.35
OPRD1 P41143 1/20 0.35
OGA O60502 1/20 0.33

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 SCHEMBL7970743 0.95 CPB2 (0.39) FAAHDRD2DRD1FUCA1CES1
Trifluoroacetic Acid SCHEMBL7967268 0.93 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL7967443 0.89 DRD2 (0.42) FAAHDRD2DRD1FUCA1CPB2
SCHEMBL27485494 0.83 GBA2 (0.40) MEN1KMT2AGBA2
Trifluoroacetic Acid SCHEMBL7957545 0.82 DPP7 (0.36) DRD2DRD1SLC1A2
Iodide SCHEMBL7218749 0.81 GBA2 (0.39) MEN1KMT2AGBA2
Hydrochloric Acid SCHEMBL7224242 0.81 GNAI3 (0.39) MEN1KMT2AGBA2
Bromide SCHEMBL4652944 0.81 GBA2 (0.39) MEN1KMT2AGBA2
Iodide SCHEMBL7246572 0.75 GNAI3 (0.42) GBA2
Hydrochloric Acid SCHEMBL7224340 0.75 GNAI3 (0.47) GBA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6222046-B1 AS TRIFLUOROACETOXYLATION AGENT MITSUI CHEMICALS, INC. (JP) 2001-04-24 US disclosed
EP-0982299-A1 Tetraalkylfluoroformamidinium trifluoroacetate and its use as trifluoroacetoxylation agent Mitsui Chemicals, Inc. (JP) 2000-03-01 EP disclosed