Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7089707

CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1.CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1.CC(C)(C)c1cc([O-])cc(C(C)(C)C)c1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Al+3]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 4/20 0.33
ACLY P53396 1/20 0.33
RORA P35398 1/20 0.33
RXRA P19793 4/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 2/20 0.33
ACHE P22303 1/20 0.32
HSD11B1 P28845 5/20 0.31
HSD17B3 P37058 1/20 0.31
UQCRB P14927 1/20 0.31
HSD17B2 P37059 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
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 SCHEMBL7086757 0.87 GPR3 (0.38) GABRA1GABRB2ALDH1A1ACLYRORA
Trifluoromethanesulfonic Acid SCHEMBL7213150 0.77 ACHE (0.40) ALDH1A1ACHEHDAC4HDAC2HDAC8
Lithium Ion SCHEMBL7743757 0.75 GABRA1 (0.50) GABRA1GABRB2ALDH1A1RXRARXRB
Potassium Ion SCHEMBL7743976 0.75 GABRA1 (0.50) GABRA1GABRB2ALDH1A1RXRARXRB
SCHEMBL5702852 0.75 GABRA1 (0.50) GABRA1GABRB2ALDH1A1RXRARXRB
SCHEMBL7738539 0.75 GABRA1 (0.50) GABRA1GABRB2ALDH1A1RXRARXRB
Trifluoromethanesulfonic Acid SCHEMBL7090348 0.75 PTPN1 (0.34) PTPN1
Trifluoromethanesulfonic Acid SCHEMBL7089666 0.73 ALDH1A1 (0.39) ALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL6040026 0.73 GABRA1 (0.48) GABRA1GABRB2ALDH1A1RXRARXRB
Trifluoromethanesulfonic Acid SCHEMBL7092302 0.70 ALDH1A1 (0.38) ALDH1A1

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-6624321-B2 Metathesis ring-opening polymerization of cyclic ethers in the presence of catalysts such as aluminum bis(trifluoromethane-sulfonate) phenolate BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030097026-A1 Process for the preparation of polyether polyols DENNINGER UWE (DE) 2003-05-22 US disclosed
US-6492565-B2 USING ALKYLENE OXIDE IN PRESENCE OF LEWIS ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20010053866-A1 Process for the preparation of polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030097026-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 GABRA1 669/4885GABRB2 1218/4885ALDH1A1 3594/4885
US-20010053866-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 GABRA1 669/4885GABRB2 1218/4885ALDH1A1 3594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.