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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7468955

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(-c4ccccc4O)c3c2)c1=O.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.31

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL7459896 0.95 PTGER1 (0.33) PTGER1KMT2A
SCHEMBL7458532 0.85 TP53 (0.31) —
SCHEMBL7462598 0.84 NT5E (0.34) —
SCHEMBL7457895 0.84 DRD2 (0.31) —
SCHEMBL7463389 0.84 TP53 (0.30) —
SCHEMBL7467857 0.84 TP53 (0.31) —
SCHEMBL7458398 0.83 ALPL (0.39) KMT2A
SCHEMBL7462316 0.82 ALDH1A1 (0.33) PTGER1KMT2A
SCHEMBL8100562 0.81 — —
SCHEMBL6770605 0.81 PTGS2 (0.35) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 — — EP disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 — — US disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 — — EP disclosed