SCHEMBL28624577

SCHEMBL28624577

C=CC(=O)OC(=O)CP(=O)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.39
PPARD Q03181 1/20 0.38
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 3/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL28617989 0.79 ALDH1A1 (0.38) TSHRPPARDHPGDALDH1A1HTT
SCHEMBL14615998 0.78 TSHR (0.41) TSHRPPARDHTTTDP1MAPT
SCHEMBL11333177 0.78 TSHR (0.41) TSHRPPARDTDP1MAPTTP53
SCHEMBL2028174 0.75 TSHR (0.46) TSHRPPARDALDH1A1TDP1MAPT
SCHEMBL12674415 0.74 TSHR (0.46) TSHRPPARDHPGDALDH1A1HTT
Acrylic Acid SCHEMBL28624578 0.74 TSHR (0.41) TSHRPPARDHPGDALDH1A1HTT
SCHEMBL466312 0.74
SCHEMBL17044657 0.73 TSHR (0.44) TSHRPPARDALDH1A1HTTTDP1
SCHEMBL337596 0.72 TSHR (0.48) TSHRPPARDALDH1A1TDP1MAPT
SCHEMBL18759661 0.72 TSHR (0.48) TSHRPPARDALDH1A1HTTTDP1

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-113354954-B Cationic photocuring epoxy vegetable oil-based flame-retardant material and preparation method and application thereof 华南农业大学 2022-04-26 CN claimed
CN-113354954-A Cationic photocuring epoxy vegetable oil-based flame-retardant material and preparation method and application thereof 华南农业大学 2021-09-07 CN claimed
CN-113292910-B Bio-based multifunctional flame-retardant epoxy acrylate and preparation method and application thereof 华南农业大学 2022-05-27 CN disclosed
CN-113354954-B Cationic photocuring epoxy vegetable oil-based flame-retardant material and preparation method and application thereof 华南农业大学 2022-04-26 CN disclosed
CN-113354954-A Cationic photocuring epoxy vegetable oil-based flame-retardant material and preparation method and application thereof 华南农业大学 2021-09-07 CN disclosed
CN-113292910-A Bio-based multifunctional flame-retardant epoxy acrylate and preparation method and application thereof 华南农业大学 2021-08-24 CN disclosed