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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5656444

COc1ccc2nccc(NC(=O)C[C@@H]3CCN(Cc4ccc5c(c4)NC(=O)CS5)C[C@@H]3CC(=O)O)c2n1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ ICAM1 P05362 1/20 0.34

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
SCHEMBL5655706 0.96 KCNH2 (0.38) KCNH2SLC2A1ICAM1
SCHEMBL14573142 0.77 KCNH2 (0.44) KCNH2
SCHEMBL5764669 0.76 KCNH2 (0.45) KCNH2
SCHEMBL14434676 0.74 KCNH2 (0.52) KCNH2
SCHEMBL6218218 0.74 SLC2A1 (0.39) KCNH2SLC2A1
SCHEMBL5746077 0.74 KCNH2 (0.40) KCNH2
SCHEMBL5264336 0.73 KCNH2 (0.52) KCNH2
SCHEMBL5777425 0.73 KCNH2 (0.40) KCNH2
SCHEMBL14573152 0.73 KCNH2 (0.44) KCNH2
SCHEMBL5750648 0.73 KCNH2 (0.39) KCNH2

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
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 — — US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 — — EP disclosed