Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7322226

CC(CC(=O)O)N1CC(=O)N(C)c2ccc(CCCCOc3cccnc3N)cc2C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
RXRA P19793 3/20 0.33
TAAR1 Q96RJ0 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 3/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ITGA2 P17301 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 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 SCHEMBL7326509 0.92 ITGB3 (0.37) ITGB3ITGA2BRXRATAAR1ITGA2
Trifluoroacetic Acid SCHEMBL7327342 0.91 ITGB3 (0.37) ITGB3ITGA2BRXRATAAR1ITGA2
Trifluoroacetic Acid SCHEMBL7332678 0.91 MEN1 (0.38) ITGB3ITGA2BRXRACYP3A4CYP2C9
SCHEMBL7322230 0.91 ITGB3 (0.39) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL9009478 0.90 PTGDR2 (0.36) ITGB3ITGA2B
SCHEMBL7331254 0.85 PTGDR2 (0.39) ITGB3ITGA2B
SCHEMBL7332680 0.85 ITGB3 (0.34) ITGB3ITGA2BCYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7319152 0.84 MEN1 (0.37) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7329185 0.83 ITGB3 (0.53) ITGB3ITGA2BRXRABACE1ITGA2
Trifluoroacetic Acid SCHEMBL8843044 0.83 MDM2 (0.33) TAAR1CYP3A4CYP2C9CYP2C19BACE1

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-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