SCHEMBL28540467

SCHEMBL28540467

C=C(C)C(=O)OC.COCCOC

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
TSHR P16473 6/20 0.46
THRB P10828 1/20 0.43
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
TET2 Q6N021 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
2-Methoxyethanol SCHEMBL335226 0.89 ALDH1A1 (0.65) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL27466495 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL4390490 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL1849 0.87
SCHEMBL10636466 0.87
SCHEMBL3022297 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHTT
Ethylenediamine SCHEMBL17453347 0.85 ALDH1A1 (0.75) ALDH1A1TSHRTHRBMGAMGAA
Propane SCHEMBL23527365 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTHRBMGAMGAA
Propane SCHEMBL6470806 0.84 ALDH1A1 (0.83) ALDH1A1TSHRTHRBMGAMGAA
Hydrogen Peroxide SCHEMBL9143793 0.84

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-112588272-B Flavonoid substance adsorbent and preparation method thereof 扬州工业职业技术学院 2023-01-24 CN claimed
CN-112588272-A Flavonoid adsorbent and preparation method thereof 扬州工业职业技术学院 2021-04-02 CN claimed
CN-112588272-B Flavonoid substance adsorbent and preparation method thereof 扬州工业职业技术学院 2023-01-24 CN disclosed
CN-112588272-B Flavonoid substance adsorbent and preparation method thereof 扬州工业职业技术学院 2023-01-24 CN disclosed
CN-112588272-A Flavonoid adsorbent and preparation method thereof 扬州工业职业技术学院 2021-04-02 CN disclosed
CN-112588272-A Flavonoid adsorbent and preparation method thereof 扬州工业职业技术学院 2021-04-02 CN disclosed