Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7045644

O=C(O)C[n+]1c2ccccc2c(C(=O)O)c2c(-c3ccccc3-c3ccccc3)cccc21.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
FOLH1 Q04609 1/20 0.32
FFAR1 O14842 1/20 0.31
RAB9A P51151 1/20 0.30
RCE1 Q9Y256 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HBB P68871 1/20 0.30
PTPN1 P18031 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
Trifluoromethanesulfonic Acid SCHEMBL7115555 0.82 METAP2 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL7046737 0.81
Trifluoromethanesulfonic Acid SCHEMBL7047502 0.72 KEAP1 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL7046989 0.72 KMT2A (0.33)
SCHEMBL8975328 0.71 ACHE (0.40) FOLH1RAB9ARCE1
SCHEMBL8975331 0.71 ACHE (0.40) FOLH1RAB9ARCE1
Trifluoromethanesulfonic Acid SCHEMBL6256102 0.71 KCNH2 (0.41) GPR3KCNH2
Trifluoromethanesulfonic Acid SCHEMBL7051082 0.71 KMT2A (0.45) ALDH1A1CYP1A2CYP2C9
Trifluoromethanesulfonic Acid SCHEMBL7044721 0.70 KMT2A (0.38) KCNH2RAB9AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL7047547 0.70 MEN1 (0.35) PTGDR2CYP1A2CYP2C9PTPN1

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
EP-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed