Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29514724

O=C(O)C(F)(F)F.O=C(O)c1[nH]nnc1COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HAO1 Q9UJM8 5/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MDH2 P40926 1/20 0.37
KMO O15229 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
DAO P14920 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOB P27338 1/20 0.35
SLC26A4 O43511 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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 SCHEMBL22608624 1.00 MRGPRX4 (0.44) MRGPRX4KDM4EALDH1A1LMNAHAO1
SCHEMBL22816228 0.93 MRGPRX4 (0.49) MRGPRX4KDM4EALDH1A1LMNAHAO1
SCHEMBL30631919 0.93 MRGPRX4 (0.49) MRGPRX4KDM4EALDH1A1LMNAHAO1
Trifluoroacetic Acid SCHEMBL22608719 0.91 HAO1 (0.39) MRGPRX4HAO1KMO
Trifluoroacetic Acid SCHEMBL22608285 0.87 HAO1 (0.40) MRGPRX4KDM4EALDH1A1HAO1
Trifluoroacetic Acid SCHEMBL29490748 0.87 HAO1 (0.40) MRGPRX4KDM4EALDH1A1HAO1
SCHEMBL22608628 0.84 MRGPRX4 (0.37) MRGPRX4KDM4EALDH1A1LMNAHRH3
SCHEMBL30631925 0.84 KMO (0.43) MRGPRX4HAO1KMOMAPT
SCHEMBL22816014 0.84 KMO (0.43) MRGPRX4HAO1KMOMAPT
SCHEMBL22815642 0.79 HAO1 (0.44) MRGPRX4KDM4EALDH1A1HAO1MAOB

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
CN-114258390-A Glycolate oxidase inhibitors for disease treatment 生物马林药物股份有限公司 2022-03-29 CN disclosed