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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7104562

Cc1cc(C(=O)NC(=O)CC(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cccc(C)c12.O=C([O-])C(F)(F)F.O=C1NC(=O)c2c(O)cccc21

nearest known ligand 0.30

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.30

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 SCHEMBL7100162 0.77 F10 (0.33) ACHE
Trifluoroacetic Acid SCHEMBL8438517 0.66 ACHE (0.35) ACHE
Trifluoroacetic Acid SCHEMBL4803136 0.65 LMNA (0.37) ACHE
Trifluoroacetic Acid SCHEMBL7102846 0.65 ACHE (0.35) ACHE
Trifluoromethanesulfonic Acid SCHEMBL38661998 0.65 ACHE (0.36) ACHE
SCHEMBL12907529 0.63 TTR (0.38) ACHE
Trifluoromethanesulfonic Acid SCHEMBL6256435 0.63 KCNH2 (0.39) ACHE
Trifluoroacetic Acid SCHEMBL7099563 0.62 ACHE (0.36) ACHE
SCHEMBL17898189 0.62 PPARA (0.45) ACHE
Bromide SCHEMBL8908965 0.62 TTR (0.37) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 — — EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 — — US disclosed
EP-0988551-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS Bayer Corporation (US) 2000-03-29 — — EP disclosed
WO-1998054574-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER CORPORATION (US) 1998-12-03 — — WO disclosed