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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8440244

CN1C[C@@H](S)C[C@H]1C(=O)N1CCN(C=NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 13/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ATM Q13315 1/20 0.34

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 SCHEMBL8438656 0.91 CCR5 (0.35) CCR5RECQLATM
SCHEMBL8440372 0.91 RECQL (0.37) CCR5RECQLATM
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.89 DPP8 (0.35) CCR5RECQL
Trifluoromethanesulfonic Acid SCHEMBL8439500 0.87 ALDH1A1 (0.40) CCR5ATM
Trifluoromethanesulfonic Acid SCHEMBL8436309 0.85 KMT2A (0.36) —
Trifluoromethanesulfonic Acid SCHEMBL8436590 0.85 SMN1; SMN2 (0.39) CCR5
SCHEMBL8438657 0.84 RECQL (0.39) CCR5RECQLATM
Trifluoromethanesulfonic Acid SCHEMBL8541838 0.83 PDK1 (0.35) CCR5RECQL
Trifluoromethanesulfonic Acid SCHEMBL8539389 0.82 PDK1 (0.36) CCR5ATM
Trifluoromethanesulfonic Acid SCHEMBL8438307 0.82 PDK1 (0.36) CCR5ATM

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