Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7328576

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

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.63
ITGA2B P08514 9/20 0.63
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ITGA2 P17301 2/20 0.32
NPY4R P50391 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL7327955 0.90 ITGB3 (0.53) ITGB3ITGA2BHDAC1HDAC6HDAC3
Trifluoroacetic Acid SCHEMBL7323842 0.86 ITGB3 (0.62) ITGB3ITGA2BHDAC1HDAC6HDAC3
Trifluoroacetic Acid SCHEMBL7333452 0.85 ITGB3 (0.54) ITGB3ITGA2BITGA2NPY4R
Trifluoroacetic Acid SCHEMBL7332397 0.84 ITGB3 (0.61) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7330627 0.84 ITGB3 (0.47) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7321434 0.81 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7329607 0.81 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7322865 0.80 ITGB3 (0.54) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7323212 0.80 ITGB3 (0.42) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7327454 0.79 ITGB3 (0.70) ITGB3ITGA2BHDAC1HDAC6HDAC3

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 4 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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed