Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2985286

COc1ccc(C(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)[C@H](Nc2ccccc2)c2ccccc2)C3)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
CHRM2 P08172 6/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 4/20 0.39
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
PDE8A O60658 1/20 0.38
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
PDE8B O95263 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
PDE4A P27815 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38

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 SCHEMBL2482544 1.00 CHRM3 (0.41) CHRM3CHRM2ALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL15117434 0.94 CHRM3 (0.38) CHRM3CHRM2CHRM1PDE2APDE6D
SCHEMBL13282604 0.94 ALDH1A1 (0.43) CHRM3CHRM2ALDH1A1KDM4EMAPT
SCHEMBL2486440 0.94 ALDH1A1 (0.43) CHRM3CHRM2ALDH1A1KDM4EMAPT
SCHEMBL13240908 0.94 ALDH1A1 (0.43) CHRM3CHRM2ALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL2984440 0.93 CHRM3 (0.40) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL15117534 0.92 CHRM3 (0.39) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL2485611 0.91 CHRM3 (0.41) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL2996006 0.91 CHRM3 (0.41) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL2485075 0.91 CHRM3 (0.39) CHRM3CHRM2ALDH1A1CHRM1PDE2A

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-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US 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 4/4885ALDH1A1 2693/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885ALDH1A1 2693/4885

“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.