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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6424199

O=C(O)C(F)(F)F.O=C(O)CC(NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc2c(c1)CCCC2

nearest known ligand 0.71

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 20/20 0.71
▸ ITGB3 P05106 19/20 0.71
▸ ITGB5 P18084 13/20 0.71
▸ ITGB6 P18564 13/20 0.71
▸ ITGB8 P26012 12/20 0.71

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 SCHEMBL6424203 1.00 ITGAV (0.71) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6420772 0.95 ITGB3 (0.77) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6420768 0.95 ITGB3 (0.77) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6424206 0.89 ITGAV (0.60) ITGAVITGB3ITGB5ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6422001 0.88 ITGAV (0.91) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6422671 0.83 ITGB3 (1.00) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6420863 0.83 ITGB3 (1.00) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6420861 0.83 ITGB3 (1.00) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL6421100 0.82 ITGB3 (1.00) ITGAVITGB3ITGB5ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6423724 0.82 ITGAV (0.74) ITGAVITGB3ITGB5ITGB6ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 — — EP disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 — — US disclosed