Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17893733

O=C(O)C(F)(F)F.c1ccc(-c2ncc3c(n2)CCNC3)nc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
NTRK1 P04629 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17893783 0.88 HTR2C (0.52) HTR2CPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL17893520 0.87 HTR2C (0.51) HTR2CPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL17893519 0.87 HTR2C (0.51) HTR2CPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL19664864 0.86 HTR2C (0.62) HTR2CNTRK1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL21326016 0.78 KDM1A (0.37)
Trifluoroacetic Acid SCHEMBL18550341 0.76 HTR2C (0.41) HTR2CNTRK1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL18550031 0.75 HTR2C (0.38) HTR2CNTRK1POLBSMN1; SMN2
SCHEMBL12490852 0.74 HTR2C (0.78) HTR2CPOLBSMN1; SMN2
SCHEMBL17893667 0.73 POLB (0.58) HTR2CPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29608658 0.73 ENPP2 (0.53) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
EP-3240537-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-11-08 EP disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 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-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT HTR2C 2880/4885NTRK1 4825/4885POLB 888/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD HTR2C 2832/4885NTRK1 4840/4885POLB 525/4885

“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.