Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14918262

NC1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.53
HDAC8 Q9BY41 16/20 0.53
HDAC1 Q13547 6/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL14918816 0.93 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC5
Trifluoroacetic Acid SCHEMBL31675215 0.84 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918519 0.84 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918283 0.82 HDAC4 (0.58) HDAC6HDAC8HDAC1HDAC5
Trifluoroacetic Acid SCHEMBL29877170 0.82 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918562 0.82 HDAC4 (0.59) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14917981 0.81 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC5
Trifluoroacetic Acid SCHEMBL29877258 0.81 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14932797 0.79 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14917670 0.78 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC5

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-2013066831-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed