SCHEMBL4625318

SCHEMBL4625318

CC(=O)OC(=O)C(OC(C)C)OC(C)C.[AlH3]

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10582814 0.87 TSHR (0.40) TSHRALDH1A1HSD17B10TDP1
SCHEMBL27613463 0.77 TSHR (0.38) TSHRALDH1A1HSD17B10TDP1
SCHEMBL28181176 0.74 TSHR (0.39) TSHRALDH1A1HSD17B10TDP1
SCHEMBL10576602 0.73 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL28185729 0.72 SMN1; SMN2 (0.44) TSHRALDH1A1
SCHEMBL915749 0.72 TSHR (0.47) TSHRALDH1A1HSD17B10TDP1
SCHEMBL423710 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10
SCHEMBL186118 0.71
SCHEMBL27455375 0.71 TSHR (0.43) TSHRALDH1A1TDP1
Acetic Acid SCHEMBL29061287 0.70 TSHR (0.38) TSHR

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
EP-1227183-B1 SURFACE-TREATING AGENT COMPRISING INORGANIC/ORGANIC HYBRID MATERIAL DAIKIN IND LTD (JP) 2008-06-11 EP disclosed
US-6811854-B1 AGENT INCLUDING METAL ALKOXIDE AND POLYMER HAVING REPEATING UNITS DERIVED FROM MONOMER HAVING CARBON-CARBON DOUBLE BOND AND METAL ALKOXIDE GROUP, FLUORINE-FREE (METH)ACRYLIC ACID DERIVATIVE MONOMER, AND FLUORINE-CONTAINING COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2004-11-02 US disclosed
EP-1227183-A1 SURFACE-TREATING AGENT COMPRISING INORGANIC/ORGANIC HYBRID MATERIAL Daikin Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-1167616-A1 SURFACE-TREATING AGENT COMPRISING INORGANIC/ORGANIC HYBRID MATERIAL Daikin Industries, Ltd. (JP) 2002-01-02 EP disclosed