Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7329924

COc1ccc(N2C(=O)CN(CCC(=O)O)C(=O)c3cc(CCCCCN)ccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LTB4R Q15722 1/20 0.34
ITGA2 P17301 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PLA2G4A P47712 2/20 0.33
NR1H3 Q13133 1/20 0.33
PPARG P37231 1/20 0.33
RXRA P19793 1/20 0.33
F10 P00742 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 SCHEMBL7332958 1.00 ITGB3 (0.37) ITGB3ITGA2BS1PR1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL7333020 0.90 ITGB3 (0.37) ITGB3ITGA2BS1PR1ALDH1A1FFAR4
Trifluoroacetic Acid SCHEMBL7331122 0.90 ITGB3 (0.37) ITGB3ITGA2BS1PR1ALDH1A1FFAR4
Trifluoroacetic Acid SCHEMBL7332794 0.89 PTGDR2 (0.40) ITGB3ITGA2BALDH1A1HTTPTGDR2
Trifluoroacetic Acid SCHEMBL8836813 0.89 PTGDR2 (0.40) ITGB3ITGA2BALDH1A1HTTPTGDR2
Trifluoroacetic Acid SCHEMBL7331756 0.85 ITGB3 (0.50) ITGB3ITGA2BS1PR1ALDH1A1ITGA2
SCHEMBL7322450 0.85 KDM4E (0.43) ITGB3ITGA2BS1PR1ALDH1A1FFAR4
SCHEMBL9318144 0.82 DRD2 (0.37) S1PR1ALDH1A1
Trifluoroacetic Acid SCHEMBL7329072 0.81 CHRM5 (0.42) ITGB3ITGA2BITGA2PTGDR2
Trifluoroacetic Acid SCHEMBL7331205 0.81 CHRM5 (0.42) ITGB3ITGA2BITGA2PTGDR2

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 7 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed