Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9093493

Cc1cccc(S(=O)(=O)[C@@](N)(CNC(=O)C[C@H]2CC(c3ccc(C(=N)N)cn3)NO2)C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.35
▸ ITGA2B P08514 12/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ITGAM P11215 1/20 0.35
▸ F2 P00734 8/20 0.35
▸ TMPRSS6 Q8IU80 7/20 0.35

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
SCHEMBL7847593 0.80 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7372659 0.79 ITGB3 (0.34) ITGB3ITGA2BF2
SCHEMBL9093620 0.78 F2 (0.37) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL9095129 0.77 ITGB3 (0.35) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL9093368 0.74 F2 (0.36) F2TMPRSS6
SCHEMBL9091922 0.73 ITGB3 (0.34) ITGB3ITGA2BITGB2ITGAMTMPRSS6
SCHEMBL9093633 0.72 ITGB3 (0.37) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7790950 0.71 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790913 0.71 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7790872 0.71 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAM

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
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed
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