SCHEMBL2947731

SCHEMBL2947731

CCCOC(=O)CC#CCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 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
SCHEMBL2939247 0.91 NAAA (0.41) TSHRNAAADGKAALDH1A1GLA
SCHEMBL2941650 0.88 NAAA (0.47) TSHRNAAADGKAALDH1A1HPGD
SCHEMBL2946414 0.85 MGAM (0.46) NAAADGKAALDH1A1HCAR2MGAM
SCHEMBL2946724 0.83 GAA (0.54) TSHRALDH1A1MGAMGAASI
SCHEMBL2946746 0.82 TSHR (0.53) TSHRALDH1A1MGAMGAASI
SCHEMBL9746747 0.81 NAAA (0.38) TSHRNAAADGKAALDH1A1GLA
SCHEMBL9746566 0.80 NAAA (0.34) TSHRNAAADGKAALDH1A1GLA
SCHEMBL2944649 0.78 ALDH1A1 (0.54) TSHRNAAADGKAALDH1A1HPGD
SCHEMBL5411373 0.78
SCHEMBL240959 0.78 MGAM (0.52) TSHRNAAADGKAALDH1A1HPGD

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
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed