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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4024567

Cc1ccc(S(=O)(=O)n2ccc3c(C=O)cccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(CN4CCNCC4)cccc32)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.71
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.43
▸ UBE2N P61088 1/20 0.43

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 SCHEMBL4022973 0.97 HTR6 (0.67) HTR6CYP3A4CYP2D6KDM4EUBE2N
Trifluoroacetic Acid SCHEMBL4024854 0.93 HTR6 (0.64) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4019247 0.90 HTR6 (0.60) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4021360 0.88 HTR6 (0.57) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4021249 0.87 HTR6 (0.61) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4021316 0.87 HTR6 (0.60) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4022041 0.86 HTR6 (0.53) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3611318 0.85 HTR6 (0.70) HTR6CYP3A4CYP2D6
SCHEMBL3619729 0.85 HTR6 (0.98) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4024210 0.85 HTR6 (0.54) HTR6CYP3A4CYP2D6

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
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 — — EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 — — WO disclosed