SCHEMBL9580587

SCHEMBL9580587

OC[C@H]1COCCOCCOCCO1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
PDK1 Q15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TTR P02766 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL895933 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL18183279 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL9745216 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
Dioxane SCHEMBL17731142 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL1246485 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
Dioxane SCHEMBL10605073 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
Dioxane SCHEMBL17731000 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL10896776 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL1245155 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3PDK1
SCHEMBL147417 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118983541-A Ultralow-water-content single-zinc ion-conduction hydrogel electrolyte membrane and preparation method and application thereof 东南大学 2024-11-19 CN claimed
CN-118703211-A Modifier for rapidly repairing soil heavy metals and preparation method thereof 江西优维环保科技有限公司 2024-09-27 CN claimed
CN-115193462-B Supported alkali metal catalyst and preparation method thereof 中国石油天然气股份有限公司 2024-05-24 CN claimed
CN-117624708-A Preparation method of biomass porous carbon-based lithium ion imprinting material 湖北百杰瑞新材料股份有限公司 2024-03-01 CN claimed
US-5047563-A Ionophores MILES INC. (US) 1991-09-10 US claimed
EP-0306802-B1 CHIRAL CROWN ETHERS MILES INC. (US) 1991-05-15 EP claimed
JP-5202025-A None JP disclosed
CN-118703211-A Modifier for rapidly repairing soil heavy metals and preparation method thereof 江西优维环保科技有限公司 2024-09-27 CN disclosed
JP-H05202025-A PREPARATION OF BIS(12-CROWN-4-METHYL)DIALKYLMALONATE MILES INC 1993-08-10 JP disclosed
US-5133934-A Enantiomorphs of bis/12-crown-4-methyl/ dialkyl malonate, a carrier and ionophore MILES INC. (US) 1992-07-28 US disclosed
US-5047563-A Ionophores MILES INC. (US) 1991-09-10 US disclosed
EP-0306802-B1 CHIRAL CROWN ETHERS MILES INC. (US) 1991-05-15 EP disclosed
EP-0306802-A1 Chiral crown ethers MILES INC. (US) 1989-03-15 EP disclosed