Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23856757

NCC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50

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 SCHEMBL23856809 0.93 KCNH2 (0.52) KCNH2
SCHEMBL21409398 0.92 KCNH2 (0.51) KCNH2
SCHEMBL21428570 0.92 KCNH2 (0.51) KCNH2
SCHEMBL21409401 0.92 KCNH2 (0.51) KCNH2
SCHEMBL30393246 0.92 KCNH2 (0.51) KCNH2
SCHEMBL21820193 0.85 KCNH2 (0.54) KCNH2
SCHEMBL23084922 0.85 KCNH2 (0.54) KCNH2
SCHEMBL21820190 0.85 KCNH2 (0.54) KCNH2
SCHEMBL23856765 0.84 KCNH2 (0.52) KCNH2
SCHEMBL21883278 0.84 KCNH2 (0.52) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed