SCHEMBL1616022

SCHEMBL1616022

CC(C)OC(=O)O.O=C1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31

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
SCHEMBL28346510 0.93 TSHR (0.31) TSHRNPC1RAB9ACYP2D6HPGD
SCHEMBL2852062 0.78
SCHEMBL27938181 0.78 ALDH1A1 (0.36) TSHRALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL29110129 0.77 KDM4E (0.33) PTGS1PTGS2ALDH1A1KDM4ELMNA
Fluoride SCHEMBL28600579 0.77 TSHR (0.50) TSHRHCAR2PDCD1CD274ALDH1A1
Fluoride SCHEMBL28820655 0.77 TSHR (0.50) TSHRHCAR2PDCD1CD274ALDH1A1
SCHEMBL36671 0.76
Methyl Alcohol SCHEMBL23051685 0.76 TSHR (0.31) TSHRALDH1A1LMNA
Lactic Acid SCHEMBL28865699 0.76 TP53 (0.52) TSHRPTGS1PTGS2ALDH1A1L3MBTL1
Acetic Acid SCHEMBL28432362 0.74 FFAR3 (0.41) TSHRPTGS1PTGS2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923156-B2 Composite polymer electrolytes for a rechargeable lithium battery ELECTROVAYA INC. (CA) 2011-04-12 US disclosed
US-20100075232-A1 COMPOSITE POLYMER ELECTROLYTES FOR A RECHARGEABLE LITHIUM BATTERY ELECTROVAYA INC. (CA) 2010-03-25 US disclosed
US-7588862-B2 Composite polymer electrolytes for a rechargeable lithium battery ELECTROVAYA INC. (CA) 2009-09-15 US disclosed
US-20040175626-A1 Composite polymer electrolytes for a rechargeable lithium battery ELECTROVAYA INC. (CA) 2004-09-09 US disclosed
US-6753114-B2 Composite electrolyte for a rechargeable lithium battery ELECTROVAYA INC. (CA) 2004-06-22 US disclosed
US-20010038948-A1 COMPOSITE ELECTROLYTE FOR A RECHARGEABLE LITHIUM BATTERY ELECTROVAYA INC. (CA) 2001-11-08 US disclosed