SCHEMBL28358338

SCHEMBL28358338

C=CC(=O)OCCOP(=O)(O)O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 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
THRB P10828 2/20 0.47
HPGD P15428 1/20 0.47
LPAR3 Q9UBY5 8/20 0.44
LPAR2 Q9HBW0 6/20 0.44
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR1 Q92633 4/20 0.35
TPI1 P60174 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
SCHEMBL40905 0.98 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene SCHEMBL2326264 0.96 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL141812 0.96 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
Propene SCHEMBL2319587 0.92 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31250038 0.92 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7550678 0.92 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7558113 0.92 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL30511187 0.92 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27872864 0.89 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28929818 0.89 TSHR (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707490-B Coal water slurry additive and production process thereof 义乌市牛尔科技有限公司 2021-07-06 CN disclosed
CN-107602764-B Hyperbranched copolymer ceramic reinforcing agent and preparation method and application thereof 广东智洁卫浴有限公司 2020-02-14 CN disclosed