Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17360757

COc1cc(CCN2CCN(CCc3ccc4c(c3)COC4=O)CC2)ccc1C#N.O=C(O)C(F)(F)F

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 18/20 0.84
KCNH2 Q12809 15/20 0.84

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
SCHEMBL2732052 0.92 KCNJ1 (1.00) KCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL17360744 0.90 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL4549660 0.87 KCNJ1 (0.83) KCNJ1KCNH2
SCHEMBL10233873 0.86 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL14782904 0.85 KCNJ1 (0.83) KCNJ1KCNH2
SCHEMBL10233614 0.84 KCNJ1 (0.84) KCNJ1KCNH2
SCHEMBL2730883 0.84 KCNJ1 (0.75) KCNJ1KCNH2
SCHEMBL10233969 0.84 KCNJ1 (0.75) KCNJ1KCNH2
SCHEMBL2733455 0.84 KCNJ1 (0.93) KCNJ1KCNH2
SCHEMBL10234063 0.84 KCNJ1 (1.00) KCNJ1KCNH2

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
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed