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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7456804

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2ccc(-c3cccc(NC(=N)N)c3)s2)C(=O)OCC(N)C(C)C)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.61

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.61
▸ ITGAV P06756 20/20 0.61
▸ ITGA2B P08514 8/20 0.61
▸ ITGB1 P05556 6/20 0.61
▸ ITGA5 P08648 6/20 0.61
▸ ITGB5 P18084 6/20 0.61

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
SCHEMBL7455917 0.96 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7456787 0.89 ITGAV (0.56) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7448645 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7447669 0.85 ITGAV (0.74) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7455909 0.84 ITGAV (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7451089 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7451746 0.78 ITGAV (0.80) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7451759 0.77 ITGAV (0.64) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7448631 0.74 ITGAV (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
Trifluoroacetic Acid SCHEMBL7451399 0.74 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 — — EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 — — US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 — — WO disclosed