Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8544331

O=C(OCCN1CCCN(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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CCR5 P51681 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KCNJ1 P48048 2/20 0.34
KCNH2 Q12809 2/20 0.34
LTA4H P09960 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
DPP4 P27487 1/20 0.33
CCR2 P41597 1/20 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 SCHEMBL8435643 0.98 HRH2 (0.37) KDM4EALDH1A1TDP1HRH2HRH1
Trifluoromethanesulfonic Acid SCHEMBL9125762 0.94 DPP8 (0.36) KDM4EALDH1A1TDP1HRH2HRH1
Trifluoromethanesulfonic Acid SCHEMBL8438408 0.92 CCR5 (0.36) KDM4EALDH1A1TDP1HRH2HRH1
Trifluoromethanesulfonic Acid SCHEMBL8438040 0.91 HRH2 (0.36) KDM4EALDH1A1TDP1HRH2HRH1
SCHEMBL8439573 0.91 HRH2 (0.41) KDM4EALDH1A1TDP1HRH2HRH1
SCHEMBL8434840 0.91 HRH2 (0.41) KDM4EALDH1A1TDP1HRH2HRH1
SCHEMBL8437995 0.91 HRH2 (0.41) KDM4EALDH1A1TDP1HRH2HRH1
Trifluoromethanesulfonic Acid SCHEMBL8537325 0.90 CCR5 (0.37) KDM4EALDH1A1HRH2HRH1CCR5
Trifluoromethanesulfonic Acid SCHEMBL8435997 0.89 DPP8 (0.36) CCR5DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL9127836 0.89 CCR5 (0.37) CCR5DPP8DPP9

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
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US 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