SCHEMBL28072248

SCHEMBL28072248

O=P(O)(O)C=CP(=O)(O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
SLC34A1 Q06495 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MMP2 P08253 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FDPS P14324 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRR1 P24046 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
SCHEMBL1375945 0.95 CA2 (0.39) CA2SLC34A1KDM4EMMP2THRB
SCHEMBL439474 0.95 CA2 (0.39) CA2SLC34A1KDM4EMMP2THRB
SCHEMBL9307785 0.78 GABRR1 (0.35) CA2SLC34A1FDPSGABRR1
SCHEMBL9307779 0.78 GABRR1 (0.35) CA2SLC34A1FDPSGABRR1
SCHEMBL28682251 0.78
SCHEMBL28417021 0.78
SCHEMBL27830798 0.75
SCHEMBL462086 0.72
Phosphoric Acid SCHEMBL3953253 0.68 CA2 (0.50) CA2SLC34A1KDM4EMMP2THRB
Phosphoric Acid SCHEMBL1539029 0.68 CA2 (0.50) CA2SLC34A1KDM4EMMP2THRB

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-117503971-A High-low temperature resistant high-content deodorant and preparation method thereof 成都科宏达化学有限责任公司 2024-02-06 CN disclosed
CN-104743582-B The method and apparatus of bromine bittern production refined brine is carried in a kind of utilization CHINA NATIONAL OFFSHORE OIL CORPORATION (CN) 2016-05-18 CN disclosed