Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25291317

O=C(O)C(F)(F)F.OC[C@H]1Cc2c(Br)cccc2CN1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.43
KDM1A O60341 2/20 0.39
ADRA2A P08913 1/20 0.36

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
SCHEMBL16267716 0.88 PNMT (0.53) PNMTADRA2A
SCHEMBL29652240 0.88 PNMT (0.53) PNMTADRA2A
SCHEMBL21489595 0.88 PNMT (0.53) PNMTADRA2A
SCHEMBL21496903 0.81 PNMT (0.44) PNMTADRA2A
SCHEMBL25251593 0.81 ABHD6 (0.36) PNMTKDM1A
Trifluoroacetic Acid SCHEMBL383916 0.76 ABHD6 (0.40) PNMTKDM1A
SCHEMBL31651974 0.73 EGLN1 (0.43)
SCHEMBL16268692 0.73 EGLN1 (0.43)
SCHEMBL30543100 0.73 EGLN1 (0.43)
Hydrochloric Acid SCHEMBL32676919 0.72 EGLN1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200280-B1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS LILLY CO ELI (US) 2024-02-21 EP disclosed
US-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators ELI LILLY AND COMPANY 2023-11-30 US disclosed
EP-4200280-A1 PHENYL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL-ETHAN-1-ONE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS ELI LILLY AND COMPANY (US) 2023-06-28 EP 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-20230382869-A1 Phenyl-3,4-dihydroisoquinolin-2(1h)-yl-ethan-1-one derivatives as dopamine d1receptor positive allosteric modulators HTR1D, ADRA1D, HTR1A PNMT 173/4885KDM1A 1087/4885ADRA2A 35/4885

“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.