Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16478346

COCCc1cc(-c2ccc(CC(C#N)NC(=O)C3CCCCC3)cc2)c[nH]c1=O.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
▸ CTSC P53634 20/20 0.47
▸ KCNH2 Q12809 4/20 0.42
▸ CTSK P43235 3/20 0.42

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
SCHEMBL16478369 0.85 CTSC (0.55) CTSCKCNH2CTSK
SCHEMBL16478343 0.81 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL16478348 0.79 CTSC (0.55) CTSCKCNH2CTSK
SCHEMBL16478366 0.79 CTSC (0.55) CTSCKCNH2CTSK
Trifluoroacetic Acid SCHEMBL16478357 0.77 CTSC (0.71) CTSCKCNH2CTSK
Trifluoroacetic Acid SCHEMBL16478345 0.76 CTSC (0.49) CTSCKCNH2CTSK
Trifluoroacetic Acid SCHEMBL16478344 0.73 CTSC (0.68) CTSCKCNH2CTSK
Trifluoroacetic Acid SCHEMBL16478356 0.72 CTSC (0.46) CTSCKCNH2CTSK
Trifluoroacetic Acid SCHEMBL16478370 0.72 CTSC (0.69) CTSCKCNH2CTSK
SCHEMBL16478342 0.71 CTSC (0.61) CTSCCTSK

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-8940721-B2 Compositions and methods of treating retinal disease ALDEXA THERAPEUTICS, INC. (US) 2015-01-27 — — US disclosed
WO-2011154677-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 ASTRAZENECA AB (SE) 2011-12-15 — — WO disclosed
Send feedback