Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21062228

NC1CCC(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ATF4 P18848 2/20 0.43
▸ SCN3A Q9NY46 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMYD3 Q9H7B4 6/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL21050151 1.00 GLS (0.47) GLSMEN1KMT2ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21050152 1.00 GLS (0.47) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL24225710 0.92 MEN1 (0.53) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL23920621 0.86 KMT2A (0.58) GLSMEN1KMT2ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL21819474 0.85 MEN1 (0.45) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL21050174 0.84 KMT2A (0.54) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL24225718 0.78 GLS (0.48) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL28522347 0.78 GLS (0.48) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL22614290 0.78 CYP1A2 (0.47) GLSMEN1KMT2ACYP1A2CYP3A4
SCHEMBL22614291 0.78 CYP1A2 (0.47) GLSMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723762-A2 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-10-21 — — EP disclosed
WO-2019118785-A2 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2019-06-20 — — WO disclosed
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