Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7359277

NCCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 3/20 0.40
CHRM5 P08912 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALDH3A1 P30838 4/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ALDH2 P05091 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGA2 P17301 2/20 0.36
MDH2 P40926 1/20 0.35

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 SCHEMBL7332742 1.00 PPARD (0.40) PPARDPPARAPPARGCHRM5PTGDR2
Trifluoroacetic Acid SCHEMBL8842940 0.92 ATM (0.41) CA1CA2CA9ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7332794 0.90 PTGDR2 (0.40) CHRM5PTGDR2CA12CA1CA2
Trifluoroacetic Acid SCHEMBL8836813 0.90 PTGDR2 (0.40) CHRM5PTGDR2CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7329072 0.89 CHRM5 (0.42) CHRM5PTGDR2ITGB3ITGA2BITGA2
Trifluoroacetic Acid SCHEMBL7331205 0.89 CHRM5 (0.42) CHRM5PTGDR2ITGB3ITGA2BITGA2
Trifluoroacetic Acid SCHEMBL7320344 0.89 ALDH1A1 (0.39) PPARDPPARAPPARGCHRM5PTGDR2
Trifluoroacetic Acid SCHEMBL8836937 0.89 ALDH1A1 (0.39) PPARDPPARAPPARGCHRM5PTGDR2
Trifluoroacetic Acid SCHEMBL7356213 0.88 ITGB3 (0.44) PTGDR2ALDH1A1ITGB3ITGA2BITGA2
Trifluoroacetic Acid SCHEMBL7354484 0.88 ITGB3 (0.46) ALDH1A1ITGB3ITGA2BITGA2

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