SCHEMBL28413680

SCHEMBL28413680

CCCC#CCCOC(=O)C(=O)OCCC#CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
ALDH1A1 P00352 4/20 0.34
PTPN7 P35236 4/20 0.33
THRB P10828 1/20 0.33
HMGCR P04035 1/20 0.33
PTGS2 P35354 2/20 0.33
ATM Q13315 1/20 0.32
RECQL P46063 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL28408122 0.86 THRB (0.33) TSHRALDH1A1THRB
SCHEMBL10630370 0.84 ALDH1A1 (0.54) TSHRGRIK1GRIK2ALDH1A1PTGS2
SCHEMBL16244605 0.82 ALOX15 (0.46) TSHRGRIK1GRIK2ALDH1A1PTPN7
SCHEMBL28408105 0.81 GRIK1 (0.39) TSHRGRIK1GRIK2ALDH1A1PTPN7
SCHEMBL29119321 0.80 DGKA (0.45) TSHRALDH1A1PTPN7THRBHMGCR
SCHEMBL16648784 0.78 THRB (0.30) THRB
SCHEMBL7665181 0.76 THRB (0.34) TSHRALDH1A1THRB
SCHEMBL16649222 0.76 GRIK1 (0.31) GRIK1GRIK2PTPN7THRBHMGCR
SCHEMBL29119191 0.76 DGKA (0.66) TSHRALDH1A1PTPN7HMGCRATM
SCHEMBL30592506 0.74 DGKA (0.69) TSHRALDH1A1PTPN7HMGCRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112042036-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2020-12-04 CN disclosed
CN-111937215-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2020-11-13 CN disclosed
CN-111919326-A Electrolyte solution, electrochemical device, lithium ion secondary battery, module, and compound 大金工业株式会社 2020-11-10 CN disclosed
CN-111712961-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-09-25 CN disclosed
CN-111656595-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-09-11 CN disclosed
CN-111557061-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-08-18 CN disclosed
CN-111433964-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-07-17 CN disclosed
CN-111373591-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-07-03 CN disclosed
CN-111316492-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2020-06-19 CN disclosed
CN-111247681-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2020-06-05 CN disclosed