Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22495374

O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc(N2C[C@@H]3CNC[C@H]3C2)cc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.48
▸ CHRNA7 P36544 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.47
▸ KCNJ1 P48048 1/20 0.46
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL29723778 0.88 SIRT6 (0.58) BPTFADRB1SIRT6POLBMEN1
SCHEMBL10036164 0.88 SIRT6 (0.58) BPTFADRB1SIRT6POLBMEN1
SCHEMBL29045756 0.88 SIRT6 (0.58) BPTFADRB1SIRT6POLBMEN1
Hydrochloric Acid SCHEMBL30354933 0.86 SIRT6 (0.57) BPTFCHRNA7ADRB1SIRT6CHRNB2
Trifluoroacetic Acid SCHEMBL29580373 0.82 CHRNB4 (0.46) ADRB1SIRT6KCNJ1POLBKDM1A
Trifluoroacetic Acid SCHEMBL3552142 0.76 MAPT (0.49) KCNJ1POLBMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL3555102 0.76 MAPT (0.49) KCNJ1POLBMEN1KMT2AMAPT
SCHEMBL14060301 0.75 AKR1C3 (0.49) ADRB1SIRT6POLBMEN1KMT2A
SCHEMBL12939934 0.74 MAPT (0.58) ADRB1SIRT6POLBMEN1KMT2A
SCHEMBL25191133 0.73 POLB (0.54) ADRB1SIRT6POLBMEN1KMT2A

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-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 — — EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 — — US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 — — 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 BPTF 4147/4885CHRNA7 330/4885ADRB1 30/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 BPTF 4206/4885CHRNA7 358/4885ADRB1 41/4885

“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.

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