Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7331122

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2c1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
S1PR1 P21453 1/20 0.35
ITGA2 P17301 2/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HPGD P15428 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MDM2 Q00987 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LTB4R Q15722 2/20 0.32
MEN1 O00255 1/20 0.31

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 SCHEMBL7333020 1.00 ITGB3 (0.37) ITGB3ITGA2BS1PR1ITGA2DRD2
Trifluoroacetic Acid SCHEMBL7329924 0.90 ITGB3 (0.37) ITGB3ITGA2BS1PR1ITGA2ALDH1A1
Trifluoroacetic Acid SCHEMBL7332958 0.90 ITGB3 (0.37) ITGB3ITGA2BS1PR1ITGA2ALDH1A1
SCHEMBL7322450 0.87 KDM4E (0.43) ITGB3ITGA2BS1PR1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7331756 0.85 ITGB3 (0.50) ITGB3ITGA2BS1PR1ITGA2KDM4E
SCHEMBL7356465 0.84 PTGDR2 (0.42) ITGB3ITGA2BS1PR1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7332742 0.82 PPARD (0.40) ITGB3ITGA2BITGA2ALDH1A1PTGDR2
Trifluoroacetic Acid SCHEMBL7359277 0.82 PPARD (0.40) ITGB3ITGA2BITGA2ALDH1A1PTGDR2
Trifluoroacetic Acid SCHEMBL7326800 0.81 ITGB3 (0.40) ITGB3ITGA2BS1PR1ITGA2KDM4E
SCHEMBL9318139 0.80 DRD2 (0.41) S1PR1DRD2

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