Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9102512

NCCCCCC(N)c1ccc([N+](=O)[O-])c2nonc12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 16/20 0.40
GSTM2 P28161 15/20 0.40
MYC P01106 2/20 0.38
MAX P61244 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3025724 0.86 GSTP1 (0.43) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL7597653 0.83 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1
SCHEMBL9279465 0.81 GSTP1 (0.42) GSTP1GSTM2MYCMAXMEN1
SCHEMBL3592647 0.76 GSTM2 (0.47) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL11036403 0.74 MYC (0.50) GSTM2MYCMAXMEN1KMT2A
SCHEMBL8402336 0.72 GSTP1 (0.40) GSTP1GSTM2MEN1KMT2AUSP2
SCHEMBL8788868 0.68 GSTP1 (0.49) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL9102049 0.68 GSTM2 (0.46) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL9098602 0.67 KAT2B (0.47) MEN1KMT2ARECQL
SCHEMBL3014278 0.67 GSTM2 (0.63) GSTM2MYCMEN1KMT2AUSP2

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
US-5576436-A FLUORESCENT LABELED LIGANDS FOR MEASUREMENT OF RECEPTORS PHARMACEUTICAL DISCOVERY CORPORATION (US) 1996-11-19 US disclosed