Bicarbonate

Bicarbonate

SCHEMBL576994

C=CF.CCOC(=O)OC.O=C(O)O

nearest known ligand 0.48

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Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SOAT1 P35610 1/20 0.44
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 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
Bicarbonate SCHEMBL27780973 0.98 ALDH1A1 (0.46) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL16858645 0.94 ALDH1A1 (0.52) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL3100323 0.91 ALDH1A1 (0.40) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL3105439 0.89 ALDH1A1 (0.39) ALDH1A1SOAT1MGAMGAASI
SCHEMBL16370100 0.89 ALDH1A1 (0.56) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL20471964 0.89 ALDH1A1 (0.50) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL16395634 0.89 ALDH1A1 (0.62) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL381886 0.87 ALDH1A1 (0.57) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL25387531 0.87 ALDH1A1 (0.63) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL586522 0.87 ALDH1A1 (0.63) ALDH1A1SOAT1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745936-A Modified silicon material and preparation method thereof, negative electrode material, negative electrode plate, secondary battery, battery module, battery pack and power utilization device 宁德时代新能源科技股份有限公司 2023-09-12 CN disclosed
EP-4199154-A1 MODIFIED SILICON MATERIAL AND PREPARATION METHOD THEREFOR, AND NEGATIVE ELECTRODE MATERIAL, NEGATIVE ELECTRODE PLATE, SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK AND ELECTRIC APPARATUS Contemporary Amperex Technology Co., Limited (CN) 2023-06-21 EP disclosed
US-20230163284-A1 MODIFIED SILICON MATERIAL AND PREPARATION METHOD THEREOF, NEGATIVE ELECTRODE MATERIAL CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2023-05-25 US disclosed
WO-2023070382-A1 MODIFIED SILICON MATERIAL AND PREPARATION METHOD THEREFOR, AND NEGATIVE ELECTRODE MATERIAL, NEGATIVE ELECTRODE PLATE, SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK AND ELECTRIC APPARATUS 宁德时代新能源科技股份有限公司 2023-05-04 WO disclosed
EP-2144321-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2019-01-23 EP disclosed
EP-2418723-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-09-19 EP disclosed
EP-2450997-B1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEM CORP (JP) 2017-03-22 EP disclosed
EP-2940779-A1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME Mitsubishi Chemical Corporation (JP) 2015-11-04 EP disclosed
EP-2597717-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2013-05-29 EP disclosed
EP-2418723-A1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same Mitsubishi Chemical Corporation (JP) 2012-02-15 EP disclosed
EP-2144321-A1 NONAQUEOUS ELECTROLYTE FOR RECHARGEABLE BATTERY, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-01-13 EP disclosed
CN-101548425-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-09-30 CN disclosed