SCHEMBL29023701

SCHEMBL29023701

C=CC(=O)OCCOP(C)(=O)OCCOC(=O)C=C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
TP53 P04637 3/20 0.57
HIF1A Q16665 3/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 4/20 0.47
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.35
HCAR2 Q8TDS4 4/20 0.34
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL20988013 0.91 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19138875 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL40904 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1068090 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL40905 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29023702 0.81 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
Propene SCHEMBL2319587 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3062836 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11663702 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28167470 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116315075-A Flame-retardant gel polymer electrolyte suitable for wide Wen Yuna ion battery and application thereof 安徽长淮新材料有限公司 2023-06-23 CN claimed
CN-116315075-A Flame-retardant gel polymer electrolyte suitable for wide Wen Yuna ion battery and application thereof 安徽长淮新材料有限公司 2023-06-23 CN disclosed
CN-116315075-A Flame-retardant gel polymer electrolyte suitable for wide Wen Yuna ion battery and application thereof 安徽长淮新材料有限公司 2023-06-23 CN disclosed