Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326800

N=C(N)NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ITGA2 P17301 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
LIPG Q9Y5X9 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
NPY4R P50391 1/20 0.32
NAMPT P43490 2/20 0.32
S1PR1 P21453 1/20 0.32
ASAH1 Q13510 1/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7326806 0.90 ITGB3 (0.33) ITGB3ITGA2BLIPGNAMPTASAH1
Trifluoroacetic Acid SCHEMBL7331729 0.89 ITGB3 (0.51) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7326131 0.87 ITGB3 (0.38) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7353937 0.87 ITGB3 (0.38) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7335741 0.86 ITGB3 (0.39) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7323839 0.85 CTRB1 (0.38) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7327348 0.85 CTRB1 (0.38) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL8836959 0.85 CHRM5 (0.39) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7326956 0.85 CHRM5 (0.39) ITGB3ITGA2BITGA2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7320344 0.84 ALDH1A1 (0.39) ITGB3ITGA2BITGA2PPARDPPARA

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 5 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed