Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8435997

O=C(CN1CCCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CCR5 P51681 2/20 0.35
NPBWR1 P48145 2/20 0.33
MCHR1 Q99705 2/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL8438327 0.98 CCR5 (0.36) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL8438408 0.91 CCR5 (0.36) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL9124695 0.91 CCR5 (0.36) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL9127836 0.89 CCR5 (0.37) DPP8DPP9CCR5NPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8544331 0.89 KDM4E (0.35) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL8537325 0.88 CCR5 (0.37) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL9125762 0.88 DPP8 (0.36) DPP8DPP9CCR5
Trifluoromethanesulfonic Acid SCHEMBL9125753 0.87 CCR5 (0.39) DPP8DPP9CCR5NPBWR1MCHR1
SCHEMBL8440367 0.86 DPP8 (0.39) DPP8DPP9NPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8435643 0.86 HRH2 (0.37) DPP8DPP9CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5420119-A Bactericides SANKYO COMPANY, LIMITED (JP) 1995-05-30 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed