Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7323917

CC(CN1CC(=O)N(C)c2ccc(CCCCCCN)cc2C1=O)C(=O)O.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
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
S1PR4 O95977 4/20 0.33
S1PR1 P21453 4/20 0.33
RXRA P19793 1/20 0.33
S1PR5 Q9H228 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BACE1 P56817 2/20 0.31
TACR1 P25103 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL7323919 0.87 ITGB3 (0.34) ITGB3ITGA2BPRMT5WDR77RXRA
Trifluoroacetic Acid SCHEMBL7331756 0.86 ITGB3 (0.50) ITGB3ITGA2BS1PR1RXRABACE1
Trifluoroacetic Acid SCHEMBL8837001 0.83 ITGB3 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7329185 0.82 ITGB3 (0.53) ITGB3ITGA2BS1PR4S1PR1RXRA
SCHEMBL7363304 0.81 LTB4R (0.32) HDAC4HDAC1LIPGSSTR1SSTR4
SCHEMBL7361488 0.81 HDAC1 (0.37) HDAC1HDAC2HDAC8HDAC6LIPG
SCHEMBL7334902 0.80 ITGB3 (0.55) ITGB3ITGA2BS1PR1RXRA
SCHEMBL7361585 0.79 TRPA1 (0.34)
SCHEMBL7331761 0.79 ITGB3 (0.40) ITGB3ITGA2BRXRAGABRA1GABRG2
Trifluoroacetic Acid SCHEMBL7331380 0.78 MEN1 (0.43) ITGB3ITGA2BBACE1SSTR1SSTR4

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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed