Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7787660

COc1ccc(C(NCc2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SLC2A1 P11166 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KLKB1 P03952 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7803612 0.94 TDP1 (0.45) TDP1MEN1KMT2AKLKB1ALDH1A1
Trifluoroacetic Acid SCHEMBL27530391 0.87 ALDH1A1 (0.38) SLC2A1MEN1KMT2AALDH1A1LMNA
SCHEMBL7787663 0.86 TDP1 (0.40) TDP1SLC2A1MEN1KMT2AKLKB1
SCHEMBL7785567 0.83 TDP1 (0.42) TDP1MEN1KMT2AKLKB1ALDH1A1
SCHEMBL7787727 0.80 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7795354 0.79 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7780576 0.79 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7802013 0.79 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL7785515 0.78 CXCR2 (0.43) MEN1KMT2AALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL7802211 0.78 KMT2A (0.40) MEN1KMT2AALDH1A1LMNAGAA

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed