SCHEMBL16416403

SCHEMBL16416403

O=S(=O)(CCOCC1CO1)CCOCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.42
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 3/20 0.33
CYP3A4 P08684 2/20 0.33
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL28067509 0.84 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL20065599 0.83 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17197994 0.78 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL22418810 0.78 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16684221 0.78 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL20094 0.78 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24737124 0.76 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24465362 0.76 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Etoglucid SCHEMBL8442 0.76 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8621977 0.76 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105556728-B Ethylene oxide derivatives as additives for electrolytes in lithium ion batteries 国轩高科美国研究院 2020-06-02 CN disclosed
EP-3025389-B1 OXIRANYL DERIVATIVES AS ADDITIVES FOR ELECTROLYTES IN LITHIUM-ION BATTERIES BASF SE (DE) 2017-06-14 EP disclosed
US-9640839-B2 Oxiranyl ester derivatives as additive for electrolytes in lithium ion batteries BASF SE (DE) 2017-05-02 US disclosed
US-9640839-B2 Oxiranyl ester derivatives as additive for electrolytes in lithium ion batteries BASF SE (DE) 2017-05-02 US disclosed
US-20160172709-A1 OXIRANYL ESTER DERIVATIVES AS ADDITIVE FOR ELECTROLYTES IN LITHIUM ION BATTERIES BASF SE (DE) 2016-06-16 US disclosed
US-20160172709-A1 OXIRANYL ESTER DERIVATIVES AS ADDITIVE FOR ELECTROLYTES IN LITHIUM ION BATTERIES BASF SE (DE) 2016-06-16 US disclosed
EP-3025389-A1 OXIRANYL DERIVATIVES AS ADDITIVES FOR ELECTROLYTES IN LITHIUM-ION BATTERIES BASF SE (DE) 2016-06-01 EP disclosed
WO-2015010931-A1 OXIRANYL DERIVATIVES AS ADDITIVES FOR ELECTROLYTES IN LITHIUM-ION BATTERIES BASF SE (DE) 2015-01-29 WO disclosed
WO-2015010931-A1 OXIRANYL DERIVATIVES AS ADDITIVES FOR ELECTROLYTES IN LITHIUM-ION BATTERIES BASF SE (DE) 2015-01-29 WO disclosed