Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL28934087

COc1cc(-n2nccn2)ccc1[N+]#N.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ PTGS1 P23219 8/20 0.33
▸ ACHE P22303 2/20 0.32
▸ SLC22A12 Q96S37 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
SCHEMBL22324022 0.86 HCRTR1 (0.36) HCRTR1HCRTR2
Trifluoromethanesulfonic Acid SCHEMBL11061442 0.78 KCNH2 (0.40) —
Trifluoromethanesulfonic Acid SCHEMBL11309126 0.75 DRD2 (0.38) ACHE
Trifluoromethanesulfonic Acid SCHEMBL10438998 0.75 HSP90AA1 (0.41) HCRTR2ACHE
Trifluoromethanesulfonic Acid SCHEMBL11064735 0.74 SLC22A12 (0.41) PTGS2PTGS1ACHESLC22A12
Trifluoromethanesulfonic Acid SCHEMBL28689987 0.73 ALPL (0.40) PTGS2PTGS1SLC22A12
Trifluoromethanesulfonic Acid SCHEMBL11060685 0.71 PPARG (0.41) PTGS2PTGS1
Trifluoromethanesulfonic Acid SCHEMBL11060624 0.70 ALDH1A1 (0.39) PTGS2ACHE
Trifluoromethanesulfonic Acid SCHEMBL11064584 0.68 ALDH1A1 (0.42) PTGS2PTGS1SLC22A12
Trifluoromethanesulfonic Acid SCHEMBL11064376 0.68 KCNH2 (0.36) PTGS2PTGS1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 — — CN disclosed
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