Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22322844

COC(=O)C[n+]1ccc(-c2cnnc(C)n2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.31

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 SCHEMBL22322806 0.91 SMN1; SMN2 (0.34) ALDH1A1KMT2ASMN1; SMN2MITFS1PR4
SCHEMBL22340705 0.91 ALDH1A1 (0.38) KDM4EALDH1A1MEN1USP2APOBEC3A
SCHEMBL22340380 0.81 LTB4R (0.34) KDM4EALDH1A1MEN1USP2APOBEC3A
SCHEMBL22340811 0.77 NPC1 (0.32) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL22322860 0.76 ACHE (0.32) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22322859 0.76 ALDH1A1 (0.31) KDM4EALDH1A1HPGDL3MBTL1CYP11B2
Trifluoroacetic Acid SCHEMBL22322822 0.76 CYP2D6 (0.37) KDM4EALDH1A1MEN1USP2APOBEC3A
SCHEMBL22340392 0.71 KDM4E (0.35) KDM4ESMN1; SMN2HPGDL3MBTL1CYP11B2
SCHEMBL22322834 0.70 CYP11B2 (0.32) CYP11B2
Hydrochloric Acid SCHEMBL22322837 0.70 KDM4E (0.35) KDM4EHPGDL3MBTL1MAPT

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-2020161162-A1 HERBICIDAL PYRIDINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
Send feedback