Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5535488

C[N+]1(CCCOc2ccc3c(c2)OCO3)CCC(OC(=O)C2c3ccccc3Oc3ccccc32)C1.O=C([O-])C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.46
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 6/20 0.39
CHRM1 P11229 6/20 0.39
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
Bromide SCHEMBL5534658 0.93 CHRM3 (0.51) CHRM3MEN1MAPTTSHRKMT2A
Trifluoroacetic Acid SCHEMBL5538285 0.87 CHRM3 (0.50) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5544783 0.86 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5546014 0.86 CHRM3 (0.49) CHRM3MEN1MAPTKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5533187 0.86 CHRM3 (0.49) CHRM3ALDH1A1CHRM2CHRM1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5534438 0.85 CHRM3 (0.48) CHRM3MEN1MAPTKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5538291 0.82 CHRM3 (0.44) CHRM3MEN1MAPTKMT2ACHRM2
Bromide SCHEMBL5546045 0.81 CHRM3 (0.65) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL6420994 0.81 CHRM3 (0.45) CHRM3MEN1MAPTKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6414381 0.81 CHRM3 (0.44) CHRM3MEN1MAPTKMT2ACHRM2

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
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-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US disclosed
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
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP disclosed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO 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 1/4885MEN1 4018/4885MAPT 2578/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885MEN1 4305/4885MAPT 2792/4885

“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.