Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1701100

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)[C@@H](Nc1ccc(F)cc1)c1ccccc1)C2)c1ccc(O)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.39
CHRM2 P08172 9/20 0.39
CHRM1 P11229 4/20 0.39
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 SCHEMBL15117436 1.00 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL2485611 0.95 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL2996006 0.95 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1
SCHEMBL12072382 0.94 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1LMNA
SCHEMBL12071852 0.94 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1LMNA
SCHEMBL15127407 0.94 CHRM3 (0.39) CHRM3CHRM2CHRM1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL2998194 0.94 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL16341108 0.93 CHRM3 (0.41) CHRM3CHRM2CHRM1NPSR1
Trifluoroacetic Acid SCHEMBL15117690 0.92 CHRM3 (0.40) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL2984440 0.90 CHRM3 (0.40) CHRM3CHRM2CHRM1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US claimed
EP-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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 (1 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-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 4/4885

“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.