Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4026519

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1ccccc1)n1ccc2c(-c3cnccn3)cccc21.O=S(=O)(c1ccccc1)n1ccc2c(C3CNCCN3)cccc21

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.35
BCHE P06276 1/20 0.34

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 SCHEMBL3607520 0.87 HTR6 (0.48) HTR6DRD2HTR2ADRD3
SCHEMBL3618330 0.80 HTR6 (0.55) HTR6DRD2HTR2ADRD3
SCHEMBL3620801 0.78 HTR6 (0.66) HTR6DRD2HTR2ADRD3
Trifluoroacetic Acid SCHEMBL4021326 0.78 HTR6 (0.43) HTR6DRD2HTR2ADRD3BCHE
SCHEMBL9590277 0.69 HTR6 (0.66) HTR6
Trifluoroacetic Acid SCHEMBL3620057 0.65 HTR6 (0.53) HTR6DRD2HTR2ADRD3BCHE
SCHEMBL4680178 0.64 HTR6 (0.73) HTR6DRD2DRD3
Trifluoroacetic Acid SCHEMBL1999647 0.63 HTR6 (0.40) HTR6DRD2DRD3
Trifluoroacetic Acid SCHEMBL3616512 0.63 HTR6 (0.64) HTR6DRD2DRD3
Trifluoroacetic Acid SCHEMBL4020079 0.62 HTR6 (0.55) HTR6DRD2HTR2ADRD3

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