Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6668114

CCN(CC)c1cccc(NS(=O)(=O)C(F)(F)F)c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.49
▸ NR3C1 P04150 1/20 0.45
▸ CYP3A4 P08684 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CA1 P00915 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL3507875 0.94 CA2 (0.54) CA2NR3C1CYP3A4ALDH1A1CA1
SCHEMBL7528456 0.80 CA2 (0.56) CA2NR3C1ALDH1A1CA1MAPK1
SCHEMBL29407201 0.78 NR3C1 (0.68) NR3C1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5945125 0.78 NR3C1 (0.68) NR3C1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8713187 0.78 NR3C1 (0.52) NR3C1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6666233 0.78 NR3C1 (0.47) CA2NR3C1CYP3A4ALDH1A1MAPK1
Sulfuric Acid SCHEMBL9555432 0.77 ALDH1A1 (0.50) CA2NR3C1CYP3A4ALDH1A1CA1
Hydrochloric Acid SCHEMBL11059615 0.77 NR3C1 (0.67) NR3C1CYP3A4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20257192 0.77 CA2 (0.50) CA2NR3C1CYP3A4CA1MAPK1
SCHEMBL13397206 0.77 CA2 (0.50) CA2NR3C1CYP3A4CA1CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844243-B1 Sulfonamide compound and method for its production, metal chelate compound employing the sulfonamide compound, and optical recording medium employing the metal chelate compound MITSUBISHI CHEM CORP (JP) 2004-08-25 — — EP disclosed
US-6284877-B1 Sulfonamide compound and method for its production, metal chelate compound employing the sulfonamide compound, and optical recording medium employing the metal chelate compound MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-04 — — US disclosed
US-6225023-B1 INTERMEDIATE USEFUL FOR THE SYNTHESIS OF AZO DYE, DESIGNED TO USE SEMICONDUCTOR LASER OF SHORT WAVELENGTH. MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-01 — — US disclosed
EP-0844243-A1 Sulfonamide compound and method for its production, metal chelate compound employing the sulfonamide compound, and optical recording medium employing the metal chelate compound MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-27 — — EP disclosed
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