Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2483524

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1)C2)c1ccccc1.O=C([O-])C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.42
CHRM2 P08172 10/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CHRM1 P11229 5/20 0.38
PDE2A O00408 2/20 0.37
PDE6D O43924 2/20 0.37
PDE8A O60658 2/20 0.37
PDE5A O76074 2/20 0.37
PDE9A O76083 2/20 0.37
PDE8B O95263 2/20 0.37
PDE6A P16499 2/20 0.37
PDE6G P18545 2/20 0.37
PDE4A P27815 2/20 0.37
PDE6B P35913 2/20 0.37
PDE6C P51160 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37

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
SCHEMBL14996177 0.96 CHRM3 (0.45) CHRM3CHRM2NPSR1CHRM1PDE2A
Trifluoroacetic Acid SCHEMBL2984440 0.94 CHRM3 (0.40) CHRM3CHRM2NPSR1CHRM1PDE2A
SCHEMBL12072370 0.93 CHRM3 (0.45) CHRM3CHRM2NPSR1CHRM1
SCHEMBL15127395 0.93 CHRM3 (0.45) CHRM3CHRM2NPSR1CHRM1
Trifluoroacetic Acid SCHEMBL2487109 0.92 CHRM3 (0.39) CHRM3CHRM2NPSR1CHRM1PDE2A
Bromide SCHEMBL15117688 0.92 CHRM3 (0.46) CHRM3CHRM2NPSR1CHRM1
Trifluoroacetic Acid SCHEMBL2998194 0.91 CHRM3 (0.41) CHRM3CHRM2NPSR1CHRM1PDE2A
Trifluoroacetic Acid SCHEMBL2983221 0.90 CHRM3 (0.38) CHRM3CHRM2NPSR1CHRM1PDE2A
Trifluoroacetic Acid SCHEMBL15117534 0.90 CHRM3 (0.39) CHRM3CHRM2NPSR1CHRM1PDE2A
Trifluoroacetic Acid SCHEMBL2996006 0.89 CHRM3 (0.41) CHRM3CHRM2NPSR1CHRM1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885NPSR1 632/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885NPSR1 632/4885

“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.