Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326285

N=C(N)NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(Oc2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
FFAR1 O14842 5/20 0.35
HRH2 P25021 3/20 0.35
FFAR4 Q5NUL3 2/20 0.34
GNA15 P30679 1/20 0.34
PTGER3 P43115 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM5 P08912 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CTSD P07339 1/20 0.34
LIPG Q9Y5X9 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 SCHEMBL7324285 1.00 FDFT1 (0.36) FDFT1ITGB3ITGA2BFFAR1HRH2
Trifluoroacetic Acid SCHEMBL7326956 0.95 CHRM5 (0.39) ITGB3ITGA2BFFAR1CHRM5HRH3
Trifluoroacetic Acid SCHEMBL8836959 0.95 CHRM5 (0.39) ITGB3ITGA2BFFAR1CHRM5HRH3
SCHEMBL7326295 0.92 FDFT1 (0.33) FDFT1FFAR1CHRM5HRH3CTSD
SCHEMBL7324293 0.92 FDFT1 (0.33) FDFT1FFAR1CHRM5HRH3CTSD
Trifluoroacetic Acid SCHEMBL7323839 0.90 CTRB1 (0.38) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7327348 0.90 CTRB1 (0.38) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7326588 0.90 HRH2 (0.39) FDFT1ITGB3ITGA2BFFAR1HRH2
Trifluoroacetic Acid SCHEMBL7334531 0.90 HRH2 (0.39) FDFT1ITGB3ITGA2BFFAR1HRH2
Trifluoroacetic Acid SCHEMBL7327609 0.88 ITGB3 (0.39) ITGB3ITGA2BCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed