SCHEMBL29028616

SCHEMBL29028616

C=C(C)C(=O)OCc1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAOB P27338 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13292602 0.83 MMP1 (0.48) MMP1MMP2MMP9MMP12TSHR
SCHEMBL10262868 0.83 TSHR (0.39) MMP1MMP2MMP9MMP12TSHR
SCHEMBL10263494 0.82 RIPK1 (0.42) MMP1MMP2MMP9MMP12TSHR
SCHEMBL25840103 0.82 MMP1 (0.49) MMP1MMP2MMP9MMP12RIPK1
SCHEMBL13292601 0.81 MMP1 (0.43) MMP1MMP2MMP9MMP12TSHR
SCHEMBL1204301 0.80 TSHR (0.45) MMP1MMP2MMP9MMP12TSHR
SCHEMBL12094947 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL13292603 0.79 MAOB (0.54) MMP1MMP2MMP9MMP12RIPK1
SCHEMBL183737 0.78 TSHR (0.44) MMP1MMP2MMP9MMP12TSHR
SCHEMBL1787181 0.77 MMP1 (0.51) MMP1MMP2MMP9MMP12RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119674204-A Perfluorinated solid polymer electrolyte material and preparation method thereof 武汉理工大学 2025-03-21 CN claimed
CN-119081011-A Preparation method for converting biomass into fluorine-containing thermoplastic elastomer 广东工业大学 2024-12-06 CN claimed
CN-115976852-A Foaming wallpaper 温州大学苍南研究院 2023-04-18 CN claimed
CN-119674204-A Perfluorinated solid polymer electrolyte material and preparation method thereof 武汉理工大学 2025-03-21 CN disclosed
CN-119081011-A Preparation method for converting biomass into fluorine-containing thermoplastic elastomer 广东工业大学 2024-12-06 CN disclosed
CN-115976852-A Foaming wallpaper 温州大学苍南研究院 2023-04-18 CN disclosed