Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28530864

O=C(O)C(F)(F)F.c1cc(OC2CCNCC2)ncc1C1CC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.44
PAICS P22234 1/20 0.39
HRH1 P35367 1/20 0.39
TIPARP Q7Z3E1 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
NEK2 P51955 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
SCHEMBL18423522 0.87 TDO2 (0.47) TDO2PAICSHRH1DDB1CRBN
Trifluoroacetic Acid SCHEMBL943761 0.85 TDO2 (0.46) TDO2PAICSHRH1TIPARPNAMPT
Trifluoroacetic Acid SCHEMBL1928035 0.84 DGAT1 (0.47) TDO2PAICSHRH1TIPARPLIPG
Trifluoroacetic Acid SCHEMBL26620566 0.77 LIPG (0.49) PAICSLIPG
SCHEMBL943763 0.77 TDO2 (0.45) TDO2PAICSHRH1TIPARP
SCHEMBL14127773 0.75 MAPT (0.49) TDO2PAICSHRH1L3MBTL1
SCHEMBL18423411 0.74 NAMPT (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2252998 0.74 MAPT (0.41) TDO2PAICSSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2257085 0.74 MAPT (0.41) TDO2PAICSSMN1; SMN2
SCHEMBL942217 0.73 LIPE (0.50) TDO2TIPARPHTR2CKMT2ALIPG

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-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 CN disclosed