Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3723315

CNC(=N)N.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 13/20 0.36
KLK1 P06870 2/20 0.33
KLK5 Q9Y337 2/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
F2 P00734 1/20 0.31
CA2 P00918 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31

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 SCHEMBL29695879 0.84 CHIT1 (0.38) CHIT1NOS1NOS2CA2
Trifluoroacetic Acid SCHEMBL16760500 0.82 CA2 (0.32) CHIT1CA2
Trifluoroacetic Acid SCHEMBL508233 0.82 CYP1A2 (0.38) KLK1KLK5NOS1NOS2F2
Trifluoroacetic Acid SCHEMBL6542389 0.81 LMNA (0.39) KLK1KLK5NOS1NOS2F2
Trifluoroacetic Acid SCHEMBL31438646 0.81 ACHE (0.38) KLK1KLK5NOS1NOS2F2
Trifluoroacetic Acid SCHEMBL2409655 0.81 ACHE (0.38) KLK1KLK5NOS1NOS2F2
Bicarbonate SCHEMBL11505805 0.81
Trifluoroacetic Acid SCHEMBL7764428 0.81 ACHE (0.38) KLK1KLK5NOS1NOS2F2
Trichloroacetic Acid SCHEMBL2283139 0.80 ALDH1A1 (0.50)
Trifluoroacetic Acid SCHEMBL19272425 0.80 CYP1A2 (0.36) KLK1KLK5CA2TMPRSS6

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-2010113188-A1 FLUORURATED SILICONIC POLYMER, SYNTHESIS METHOD AND USE MAFLON S.R.L. (IT) 2010-10-07 WO disclosed