SCHEMBL16413486

SCHEMBL16413486

O=C(O)CC(CCO)(OCCO)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL19863280 0.90 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11865734 0.88 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL28373108 0.80 CYP4F2 (0.34)
SCHEMBL16413118 0.79 CYP4F2 (0.35) ALDH1A1
SCHEMBL25613051 0.78 MEN1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL3713421 0.78 CAMK2A (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ethylene Glycol SCHEMBL11550157 0.75 S1PR4 (0.34) ALDH1A1TSHR
Ethylene Glycol SCHEMBL3738508 0.74 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL8427302 0.74 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Di(Hydroxyethyl)Ether SCHEMBL3731298 0.74 TSHR (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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
US-9601775-B2 Binder composition for secondary battery positive electrode, slurry composition for secondary battery positive electrode, secondary battery positive electrode, and secondary battery ZEON CORPORATION (JP) 2017-03-21 US disclosed
US-20150050554-A1 BINDER COMPOSITION FOR SECONDARY BATTERY POSITIVE ELECTRODE, SLURRY COMPOSITION FOR SECONDARY BATTERY POSITIVE ELECTRODE, SECONDARY BATTERY POSITIVE ELECTRODE, AND SECONDARY BATTERY ZEON CORPORATION (JP) 2015-02-19 US disclosed
US-20150030922-A1 BINDER COMPOSITION FOR SECONDARY BATTERY POSITIVE ELECTRODE, SLURRY COMPOSITION FOR SECONDARY BATTERY POSITIVE ELECTRODE, POSITIVE ELECTRODE, AND SECONDARY BATTERY ZEON CORPORATION (JP) 2015-01-29 US disclosed