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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8123151

NN=Cc1ccc(N2CCC(NC(=O)NC[C@H](NC(=O)OCc3ccccc3)C(=O)O)C2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.44
▸ ITGA2B P08514 13/20 0.44
▸ ITGAV P06756 4/20 0.43
▸ CTSK P43235 6/20 0.41
▸ CTSB P07858 5/20 0.41
▸ CTSS P25774 5/20 0.41

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
SCHEMBL8109889 0.96 ITGB3 (0.45) ITGB3ITGA2BITGAVCTSKCTSB
SCHEMBL8116538 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8123138 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8123141 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSKCTSB
SCHEMBL7421593 0.83 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL8107961 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVCTSKCTSB
SCHEMBL8107970 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8124199 0.81 ITGB3 (0.41) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL8117121 0.81 ITGB3 (0.43) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL8123145 0.79 ITGB3 (0.50) ITGB3ITGA2BCTSKCTSBCTSS

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
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 — — EP disclosed