Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7563140

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CC(CCCCCCC1=CC=C2CCCNC2N1)c1ccc(=O)[nH]c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 19/20 0.37
▸ ITGB6 P18564 11/20 0.37
▸ ITGB8 P26012 11/20 0.37
▸ ITGB3 P05106 8/20 0.34
▸ DPP4 P27487 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL7552205 0.83 ITGAV (0.41) ITGAVITGB6ITGB8ITGB3
SCHEMBL7552889 0.78 ITGAV (0.45) ITGAVITGB6ITGB8ITGB3
SCHEMBL7590655 0.78 ITGAV (0.45) ITGAVITGB6ITGB8ITGB3
SCHEMBL7592208 0.78 ITGAV (0.45) ITGAVITGB6ITGB8ITGB3
SCHEMBL7597028 0.77 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3
SCHEMBL7589535 0.77 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3
SCHEMBL7558109 0.75 ITGAV (0.59) ITGAVITGB6ITGB8ITGB3
Trifluoroacetic Acid SCHEMBL6422430 0.74 ITGAV (0.69) ITGAVITGB6ITGB8ITGB3
SCHEMBL7559680 0.68 ITGAV (0.49) ITGAVITGB6ITGB8ITGB3
SCHEMBL7591676 0.68 ITGAV (0.39) ITGAVITGB6ITGB3

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-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 — — EP disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 — — WO disclosed