Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7982939

O=C(N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)C(=O)O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.93

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.93
ITGAV P06756 19/20 0.93
ITGA2B P08514 12/20 0.78

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 SCHEMBL7982934 1.00 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL7969300 0.96 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7982942 0.93 ITGB3 (0.82) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980667 0.91 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980672 0.91 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7985939 0.88 ITGB3 (0.72) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980512 0.87 ITGB3 (0.71) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7969117 0.87 ITGB3 (0.94) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980524 0.86 ITGB3 (0.69) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980517 0.86 ITGB3 (0.69) ITGB3ITGAVITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed