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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1874705

CS(=O)(=O)c1ccc(CNCc2ccc(Oc3ccc4[nH]cnc4c3)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CACNA1H O95180 1/20 0.36

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 SCHEMBL1875954 0.86 CACNA1B (0.42) CACNA1BP2RY14CACNA1H
Trifluoroacetic Acid SCHEMBL1881002 0.85 CA1 (0.48) —
Trifluoroacetic Acid SCHEMBL1875536 0.83 HTT (0.41) CACNA1BCACNA1H
Trifluoroacetic Acid SCHEMBL1880621 0.83 CACNA1B (0.39) CACNA1BCACNA1H
Trifluoroacetic Acid SCHEMBL1880790 0.82 KDM4E (0.46) —
Trifluoroacetic Acid SCHEMBL1878712 0.82 L3MBTL1 (0.46) QPCT
Trifluoroacetic Acid SCHEMBL1872849 0.82 OPRM1 (0.53) EPHX2
Trifluoroacetic Acid SCHEMBL1876945 0.80 ALDH1A1 (0.49) CACNA1BEPHX2
Trifluoroacetic Acid SCHEMBL1878025 0.80 L3MBTL1 (0.46) EPHX2P2RY14
Trifluoroacetic Acid SCHEMBL3829844 0.80 HDAC6 (0.40) CACNA1B

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
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 — — US disclosed