Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22322802

COC(=O)CNC(=O)c1cc[n+](C)nc1.O=C([O-])C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
STAMBP O95630 1/20 0.38
EGLN1 Q9GZT9 8/20 0.37
VEGFA P15692 4/20 0.37
FLT1 P17948 4/20 0.37
EGLN3 Q9H6Z9 3/20 0.37
XDH P47989 2/20 0.37
MAPK1 P28482 1/20 0.37
ACHE P22303 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL22336173 0.91 KDM4E (0.48) KDM4EGAASMN1; SMN2MEN1TSHR
Trifluoroacetic Acid SCHEMBL22322615 0.89 KDM4E (0.38) KDM4EEGLN1VEGFAFLT1EGLN3
SCHEMBL22322616 0.85 SMN1; SMN2 (0.36) KDM4EGAASMN1; SMN2MEN1TSHR
SCHEMBL22336362 0.77 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AEGLN1VEGFA
SCHEMBL22336302 0.69 ALDH1A1 (0.49) KDM4ETSHRXDHMAPK1ALDH1A1
SCHEMBL22322608 0.69 USP2 (0.44)
SCHEMBL8947242 0.68 KMT2A (0.67) KDM4EGAASMN1; SMN2MEN1TSHR
Iodide SCHEMBL22322566 0.68 ALDH1A1 (0.47) KDM4ETSHRXDHMAPK1ALDH1A1
SCHEMBL22322593 0.67 KDM4E (0.51) KDM4EGAASMN1; SMN2MEN1TSHR
SCHEMBL22322556 0.67 HPGDS (0.36) SMN1; SMN2XDHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed