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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7979079

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2ccc3c(CCCNc4ccccn4)nn(C)c3c2)C(=O)O)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 18/20 0.64
▸ ITGB3 P05106 16/20 0.64
▸ ITGA2B P08514 14/20 0.64
▸ ITGB1 P05556 2/20 0.47
▸ ITGA5 P08648 2/20 0.47

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 SCHEMBL7979082 1.00 ITGAV (0.64) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7979100 0.96 ITGAV (0.68) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7982200 0.91 ITGAV (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7982837 0.91 ITGB3 (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7982829 0.91 ITGB3 (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7979084 0.91 ITGAV (0.55) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7969186 0.87 ITGAV (0.55) ITGAVITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7979255 0.86 ITGB3 (0.67) ITGAVITGB3ITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7979252 0.86 ITGB3 (0.67) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7980652 0.85 ITGB3 (0.61) ITGAVITGB3ITGA2B

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