Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7760563

NCC(=O)NCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.60
GAA P10253 1/20 0.54
MMP2 P08253 1/20 0.54
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MCL1 Q07820 1/20 0.50
RECQL P46063 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL417953 0.89 AOC3 (0.72) AOC3GAAMMP2KMT2ATSHR
Bromide SCHEMBL10352605 0.88 AOC3 (0.70) AOC3GAAMMP2KMT2ATSHR
Hydrochloric Acid SCHEMBL12478237 0.88 AOC3 (0.73) AOC3GAAMMP2KMT2ATSHR
Beclamide SCHEMBL10692541 0.84 GAA (0.53) AOC3GAAKMT2ATSHRMEN1
SCHEMBL26580966 0.83 AOC3 (0.64) AOC3GAAMMP2KMT2ATSHR
SCHEMBL26581057 0.83 AOC3 (0.64) AOC3GAAMMP2KMT2ATSHR
Trifluoroacetic Acid SCHEMBL14743831 0.81 CA1 (0.52) GAAKMT2ATSHRMEN1CYP2C19
Trifluoroacetic Acid SCHEMBL5172108 0.80 HDAC3 (0.52) GAAKMT2ATSHRMEN1CYP1A2
SCHEMBL13073870 0.79 AOC3 (0.73) AOC3GAAKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7758264 0.79 MEN1 (0.49) MMP2KMT2AMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767800-B1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2001-03-28 EP disclosed
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
US-5571792-A Histidine and homohistidine derivatives as inhibitors of protein farnesyltransferase WARNER-LAMBERT COMPANY (US) 1996-11-05 US disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
EP-0398059-B1 CYCLOPROPANOYLAMINOACID AMIDE DERIVATIVES BAYER AG (DE) 1993-08-25 EP disclosed
US-5034408-A Fungicides of dihalocyclopropanoylamino acid amides BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0398059-A1 Cyclopropanoylaminoacid amide derivatives BAYER AG (DE) 1990-11-22 EP disclosed
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed
US-4513009-A GLYCINE, ALANINE AND SERINE DERIVATIVES SOCIETE CIVILE BIOPROJET (FR) 1985-04-23 US disclosed
EP-0057419-B1 NEW PEPTIDE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-27 EP disclosed
US-4476050-A BACTERICIDE, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-09 US disclosed
EP-0057419-A1 New peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 EP disclosed