SCHEMBL28654029

SCHEMBL28654029

CCP(=O)(O)O[PH](=O)OP(=O)(O)CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL6540289 0.86 PPARD (0.34) PPARDTSHR
SCHEMBL2846018 0.82
Ethylene SCHEMBL27503872 0.78 PPARD (0.31) PPARD
1,4-Butanediol SCHEMBL28321538 0.73 PPARD (0.36) PPARDHSD17B10TSHR
SCHEMBL6562094 0.71 PPARD (0.46) PPARDKDM4EMMP2THRBMAPK1
SCHEMBL28063817 0.69 PPARD (0.44) PPARDKDM4EMMP2THRBMAPK1
SCHEMBL18686716 0.69 PPARD (0.44) PPARDKDM4EMMP2THRBMAPK1
SCHEMBL2100459 0.69
SCHEMBL1291624 0.69
SCHEMBL1512980 0.67 FDPS (0.41)

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-113767898-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2023-01-17 CN disclosed
CN-113767898-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-12-10 CN disclosed
CN-107787183-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-10-08 CN disclosed