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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208028

Cc1ccccc1-c1ccc(CN(C(=O)CCC(=O)NC2CCc3ccccc32)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CFD P00746 3/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BDKRB1 P46663 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33

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 SCHEMBL5206411 0.92 HCRTR1 (0.39) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5205133 0.92 CFD (0.35) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5206105 0.92 CFD (0.38) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5202626 0.91 ALDH1A1 (0.42) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5205258 0.91 TAOK1 (0.39) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5202194 0.90 HCRTR1 (0.43) HCRTR1HCRTR2LMNACFDMEN1
Trifluoroacetic Acid SCHEMBL5208452 0.90 HCRTR1 (0.36) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5202074 0.90 TAOK1 (0.39) HCRTR1HCRTR2LMNACFDMEN1
Trifluoroacetic Acid SCHEMBL5201908 0.90 CFD (0.34) HCRTR1HCRTR2CFDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5206323 0.89 HCRTR1 (0.36) HCRTR1HCRTR2LMNACFDMEN1

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-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 — — US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 — — EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 — — EP disclosed