Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326440

CC(CC(=O)O)N1CC(=O)N(C(C)C)c2ccc(CCCCCN)cc2C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
RXRA P19793 3/20 0.37
ITGA2 P17301 2/20 0.33
S1PR4 O95977 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR5 Q9H228 2/20 0.32
SSTR1 P30872 5/20 0.31
SSTR4 P31391 5/20 0.31
SSTR5 P35346 5/20 0.31
SSTR3 P32745 4/20 0.31
ENPP2 Q13822 1/20 0.31
SSTR2 P30874 4/20 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 SCHEMBL7329185 0.90 ITGB3 (0.53) ITGB3ITGA2BRXRAITGA2S1PR4
Trifluoroacetic Acid SCHEMBL7320336 0.89 MEN1 (0.42) ITGB3ITGA2BRXRAS1PR4S1PR1
SCHEMBL7326445 0.88 ITGB3 (0.35) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7323741 0.88 ITGB3 (0.44) ITGB3ITGA2BRXRAITGA2S1PR4
Trifluoroacetic Acid SCHEMBL7330695 0.87 ITGB3 (0.41) ITGB3ITGA2BITGA2S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL7331327 0.87 ITGB3 (0.41) ITGB3ITGA2BSSTR1SSTR4SSTR5
Trifluoroacetic Acid SCHEMBL7326509 0.84 ITGB3 (0.37) ITGB3ITGA2BRXRAITGA2
SCHEMBL7320340 0.82 MEN1 (0.35) ITGB3ITGA2BRXRASSTR1SSTR4
Trifluoroacetic Acid SCHEMBL7334476 0.82 ITGB3 (0.37) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7329543 0.79 MDM2 (0.33) RXRAS1PR4S1PR1SSTR1SSTR4

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