Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5567685

Clc1ccc2nc([C@@H]3CCCN3)[nH]c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.57
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CDC7 O00311 1/20 0.44
▸ CIT O14578 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ TAOK3 Q9H2K8 1/20 0.44
▸ PARP1 P09874 6/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ NPY5R Q15761 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41

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 SCHEMBL4956569 0.91 SCN10A (0.48) SCN10ALMNAL3MBTL1CDC7CIT
Trifluoroacetic Acid SCHEMBL29562481 0.85 SCN10A (0.55) SCN10APARP1NPY5RHCRTR1HCRTR2
SCHEMBL8273965 0.78 SCN10A (0.55) SCN10ACDC7CITCYP1A2PIM1
Trifluoroacetic Acid SCHEMBL1294019 0.78 SCN10A (0.47) SCN10APARP1NPY5RHCRTR1HCRTR2
SCHEMBL1836335 0.77 SCN10A (0.62) SCN10APARP1NPY5RPOLBRAB9A
SCHEMBL1836345 0.77 SCN10A (0.62) SCN10APARP1NPY5RPOLBRAB9A
Trifluoroacetic Acid SCHEMBL1293715 0.77 SCN10A (0.46) SCN10ACDC7PARP1NPY5RDGAT1
SCHEMBL1841241 0.75 SCN10A (0.56) SCN10ACDC7CITCYP1A2PIM1
SCHEMBL12053448 0.74 SCN10A (0.67) SCN10APARP1NPY5RRAB9AMAPT
SCHEMBL12798656 0.73 SCN10A (0.66) SCN10ACDC7CITCYP1A2PIM1

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-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 — — EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 — — WO disclosed
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