SCHEMBL11221322

SCHEMBL11221322

O=C(Cl)OCCOC(=O)Cl.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL997657 0.96 ALDH1A1 (0.40) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL28500123 0.90 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL28507647 0.90 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1AHSD17B10
Ethylene SCHEMBL8080273 0.90 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
Ethylene SCHEMBL4036431 0.90 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
Ethylene SCHEMBL8717309 0.90 ALDH1A1 (0.37) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1063406 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1AHSD17B10
Ethylene Glycol SCHEMBL11202815 0.87 ALDH1A1 (0.36) ALDH1A1TSHR
Cyclohexane SCHEMBL7908297 0.87 ALDH1A1 (0.36) ALDH1A1
SCHEMBL33420 0.87 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1982001554-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON,HALOCARBON OR SILANE GROUPS MCALISTER ROY E 1982-05-13 WO disclosed
EP-0027144-A4 POLYCARBONATES STABILIZED BY HALOHYDROCARBON, HALOCARBON OR SILANE GROUPS. MCALISTER ROY E 1981-05-19 EP disclosed
EP-0027144-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON, HALOCARBON OR SILANE GROUPS McALISTER, Roy Edward (US) 1981-04-22 EP disclosed
WO-1980002290-A1 POLYCARBONATES STABILIZED BY HALOHYDROCARBON,HALOCARBON OR SILANE GROUPS MCALISTER R 1980-10-30 WO disclosed