SCHEMBL28413616

SCHEMBL28413616

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27224370 0.85 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28408108 0.85
SCHEMBL5990419 0.79 LMNA (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28992517 0.79 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27780478 0.76 CA2 (0.39) TDP1
SCHEMBL28402968 0.75
SCHEMBL28733838 0.71 CHRM1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5558130 0.70 TSHR (0.30)
SCHEMBL28409309 0.70 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28733863 0.68 PRKCA (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C

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