Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8528228

CCOC(C)OCC.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15903747 0.77 LMNA (0.44) LMNA
Trifluoromethanesulfonic Acid SCHEMBL7682358 0.77 ALDH1A1 (0.35) EPHX1ALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL2285727 0.75 ALDH1A1 (0.41) EPHX1ALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL21751145 0.75 F2 (0.34) ALDH1A1L3MBTL1
Trifluoroacetamide SCHEMBL6889242 0.74 LMNA (0.52) LMNATHRB
Trifluoromethanesulfonic Acid SCHEMBL29214578 0.74 CES1 (0.32) EPHX1ALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL27373538 0.74 POLB (0.38) LMNAALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL23152606 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL7006307 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL1851236 0.73 ALDH1A1 (0.39) LMNAEPHX1ALDH1A1L3MBTL1

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-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO disclosed