Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8324112

Cn1cc(C2=C(c3c4n(c5ccccc35)C[C@H]3CNC[C@H]3C4)C(=O)OC2=O)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.55
PRKCG P05129 5/20 0.55
PRKCB P05771 5/20 0.55
PRKCA P17252 5/20 0.55
PRKCH P24723 5/20 0.55
PRKCE Q02156 5/20 0.55
PRKCQ Q04759 5/20 0.55
PRKCD Q05655 5/20 0.55
PRKD1 Q15139 5/20 0.55
PRKACA P17612 4/20 0.55
PRKACG P22612 4/20 0.55
PRKACB P22694 4/20 0.55
PHKG2 P15735 3/20 0.55
PRKCI P41743 3/20 0.55
PHKA2 P46019 3/20 0.55
PHKA1 P46020 3/20 0.55
PRKCZ Q05513 3/20 0.55
PHKG1 Q16816 3/20 0.55
PHKB Q93100 3/20 0.55
MYLK Q15746 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL8324110 1.00 PRKD3 (0.55) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8327160 0.91 PRKD3 (0.64) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8327156 0.91 PRKD3 (0.64) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8327163 0.91 PRKD3 (0.64) PRKD3PRKCGPRKCBPRKCAPRKCH
Trifluoroacetic Acid SCHEMBL8329483 0.90 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
Trifluoroacetic Acid SCHEMBL8329487 0.90 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
Acetic Acid SCHEMBL8325302 0.83 PRKD3 (0.72) PRKD3PRKCGPRKCBPRKCAPRKCH
Acetic Acid SCHEMBL9394907 0.83 PRKD3 (0.72) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8322489 0.81 PRKD3 (0.81) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8326455 0.81 PRKD3 (0.81) PRKD3PRKCGPRKCBPRKCAPRKCH

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-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed