Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21964012

CCNC(=O)c1cc[n+](CC(N)C(=O)O)nc1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
GRB2 P62993 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
GABRA5 P31644 1/20 0.31
MAPK14 Q16539 1/20 0.30
PTPN1 P18031 2/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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 SCHEMBL21964011 0.96 HDAC4 (0.34) HDAC4HDAC6HDAC1GRB2CA12
Trifluoroacetic Acid SCHEMBL28636927 0.88 GABRA5 (0.33) HDAC4HDAC6HDAC1GABRA5MAPK14
Trifluoroacetic Acid SCHEMBL28636930 0.85 GABRA5 (0.33) HDAC4HDAC6HDAC1GRB2CA12
Trifluoroacetic Acid SCHEMBL21964007 0.82 PPARA (0.38) PPARGPPARAITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL21964005 0.82 PPARA (0.38) PPARGPPARAITGB3ITGA2B
SCHEMBL22018097 0.78 CASR (0.34) EPHX2MAPK14
Trifluoroacetic Acid SCHEMBL20743541 0.77 GRB2 (0.33) GRB2PTPN1
Trifluoroacetic Acid SCHEMBL20743964 0.77 GRB2 (0.33) GRB2PTPN1
SCHEMBL28636921 0.73 GABRA5 (0.32) HDAC4HDAC6HDAC1GABRA5
Trifluoroacetic Acid SCHEMBL20743538 0.72 GRB2 (0.35) GRB2PTPN1ITGB3ITGA2B

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
EP-3879983-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-09-22 EP disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed