Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2579172

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

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.67

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 SCHEMBL2582214 0.88 SLC10A2 (0.72) SLC10A2
Trifluoroacetic Acid SCHEMBL2585598 0.85 SLC10A2 (0.91) SLC10A2
SCHEMBL14666301 0.83 SLC10A2 (0.77) SLC10A2
SCHEMBL2586257 0.83 SLC10A2 (0.78) SLC10A2
SCHEMBL14659229 0.82 SLC10A2 (0.72) SLC10A2
SCHEMBL14666296 0.80 SLC10A2 (1.00) SLC10A2
Trifluoroacetic Acid SCHEMBL2589856 0.80 SLC10A2 (0.73) SLC10A2
SCHEMBL2589468 0.80 SLC10A2 (1.00) SLC10A2
Trifluoroacetic Acid SCHEMBL2589284 0.77 SLC10A2 (0.81) SLC10A2
SCHEMBL2590903 0.77 SLC10A2 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed