Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2585003

CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCP(=O)(O)OCC)c(OC)cc2[C@@H](c2ccccc2)N1.O=C(O)C(F)(F)F

nearest known ligand 0.91

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.91

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
SCHEMBL14670193 0.95 SLC10A2 (1.00) SLC10A2
Trifluoroacetic Acid SCHEMBL2587908 0.93 SLC10A2 (0.90) SLC10A2
Trifluoroacetic Acid SCHEMBL14658721 0.90 SLC10A2 (0.90) SLC10A2
SCHEMBL2589027 0.89 SLC10A2 (0.88) SLC10A2
Trifluoroacetic Acid SCHEMBL2591693 0.89 SLC10A2 (0.92) SLC10A2
SCHEMBL14659523 0.88 SLC10A2 (1.00) SLC10A2
Trifluoroacetic Acid SCHEMBL14658218 0.88 SLC10A2 (0.91) SLC10A2
SCHEMBL14666292 0.88 SLC10A2 (0.90) SLC10A2
Trifluoroacetic Acid SCHEMBL2589318 0.87 SLC10A2 (0.92) SLC10A2
Trifluoroacetic Acid SCHEMBL14659560 0.86 SLC10A2 (0.78) SLC10A2

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-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed