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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8438684

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CCR5 P51681 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 2/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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 SCHEMBL8435836 0.92 CCR5 (0.36) PDK1PDK2PDK3PDK4ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8434982 0.90 PDK1 (0.40) PDK1PDK2PDK3PDK4ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8434762 0.90 CCR5 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL9127885 0.88 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8438343 0.87 PDK1 (0.38) PDK1PDK2PDK3PDK4ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8541838 0.87 PDK1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL9124700 0.86 PDK1 (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8440008 0.85 ALDH1A1 (0.37) ALDH1A1MAPTLMNACCR5KMT2A
SCHEMBL8435953 0.85 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8435956 0.85 PDK1 (0.45) PDK1PDK2PDK3PDK4ALDH1A1

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
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-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 — — US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 — — EP disclosed