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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL28465644

CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd+2]

nearest known ligand 0.36

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.36
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ FABP5 Q01469 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PTPN5 P54829 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 SCHEMBL28465642 0.88 FABP3 (0.38) FABP3FABP4FABP5HSD11B1PTPN5
SCHEMBL29353263 0.86 ROCK2 (0.35) FABP3FABP4FABP5
SCHEMBL165778 0.86 ROCK2 (0.35) FABP3FABP4FABP5
SCHEMBL29946397 0.85 FABP3 (0.41) FABP3FABP4FABP5CA12CA1
SCHEMBL28313352 0.85 ROCK2 (0.34) FABP3FABP4FABP5
SCHEMBL29912661 0.81 ROCK2 (0.32) —
SCHEMBL19928426 0.81 ROCK2 (0.32) —
SCHEMBL17648806 0.79 — —
SCHEMBL19376427 0.79 — —
SCHEMBL29380326 0.78 — —

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
CN-111732573-B Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2022-09-16 — — CN claimed
CN-111732573-A Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2020-10-02 — — CN claimed
CN-111732573-B Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2022-09-16 — — CN disclosed
CN-111732573-A Quinolone acid-aminopyrimidine compound and preparation method and application thereof 复旦大学 2020-10-02 — — CN disclosed