Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5546014

COC(=O)c1ccc(OCCC[N+]2(C)CCC(OC(=O)C3c4ccccc4Oc4ccccc43)C2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.49
CHRM2 P08172 8/20 0.44
CHRM1 P11229 8/20 0.44
CCR1 P32246 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL6414381 0.94 CHRM3 (0.44) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL5538285 0.89 CHRM3 (0.50) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5533187 0.88 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1KDM4E
Trifluoroacetic Acid SCHEMBL5535488 0.86 CHRM3 (0.46) CHRM3CHRM2CHRM1CCR1CYP1A2
Bromide SCHEMBL5546045 0.84 CHRM3 (0.65) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5544783 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1
SCHEMBL5538287 0.83 CHRM3 (0.50) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL5538291 0.82 CHRM3 (0.44) CHRM3CHRM2CHRM1CCR1MAPT
SCHEMBL6423109 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL6420994 0.82 CHRM3 (0.45) CHRM3CHRM2CHRM1MAPTMEN1

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-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US claimed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US claimed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO claimed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 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 (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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.