Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17894352

N=C(N)NCc1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.53
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
BCHE P06276 1/20 0.51
PARP10 Q53GL7 1/20 0.51

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 SCHEMBL17894405 0.90 NR4A2 (0.51) BCHE
SCHEMBL17894552 0.89 BCHE (0.63) MRGPRX1PRSS1PRSS2PRSS3BCHE
Hydrochloric Acid SCHEMBL8202366 0.88 MRGPRX1 (0.61) MRGPRX1PRSS1PRSS2PRSS3BCHE
Trifluoroacetic Acid SCHEMBL17894393 0.88 HDAC3 (0.53) BCHE
Trifluoroacetic Acid SCHEMBL17894475 0.88 GID4 (0.61)
Trifluoroacetic Acid SCHEMBL5172108 0.87 HDAC3 (0.52)
Trifluoroacetic Acid SCHEMBL17894408 0.85 MAOB (0.47)
Trifluoroacetic Acid SCHEMBL17894479 0.84 KMT2A (0.53) BCHE
Trifluoroacetic Acid SCHEMBL17894392 0.84 LTA4H (0.61)
Trifluoroacetic Acid SCHEMBL17894468 0.83 NR4A2 (0.51)

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
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 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 (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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MRGPRX1 365/4885PRSS1 2260/4885PRSS2 2297/4885

“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.