Bicarbonate

Bicarbonate

SCHEMBL9619217

CCCC[P+](C)(CCCC)CCCC.CCCC[P+](C)(CCCC)CCCC.O=C([O-])[O-]

nearest known ligand 0.54

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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 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 6/20 0.52
MAPK1 P28482 1/20 0.44
NFKB1 P19838 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
FDPS P14324 1/20 0.41

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
Acetic Acid SCHEMBL10943012 0.92 CA1 (0.52) CA1CA2MAPK1NFKB1CYP3A4
Bicarbonate SCHEMBL6814371 0.92 CA1 (0.52) CA1CA2MAPK1NFKB1CYP3A4
Propionic Acid SCHEMBL2370939 0.90 CA2 (0.50) CA1CA2MAPK1NFKB1CYP3A4
Bicarbonate SCHEMBL28065295 0.88 CA1 (0.48) CA1CA2MAPK1NFKB1CYP3A4
Acetic Acid SCHEMBL27695161 0.86 CA1 (0.47) CA1CA2MAPK1NFKB1CYP3A4
SCHEMBL626822 0.86 CA2 (0.48) CA1CA2MAPK1NFKB1CYP3A4
Phosphine SCHEMBL27975608 0.84 CA2 (0.47) CA1CA2MAPK1NFKB1CYP3A4
Trifluoroacetic Acid SCHEMBL931428 0.84 CA1 (0.45) CA1CA2CES2CES1
Acrylic Acid SCHEMBL27681921 0.84 CA1 (0.45) CA1CA2MAPK1NFKB1CYP3A4
Bicarbonate SCHEMBL7572929 0.83 CA1 (0.54) CA1CA2MAPK1CES2CES1

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
CN-117728109-A Casting film liquid, lithium battery composite diaphragm and preparation method thereof 上海大学 2024-03-19 CN claimed
EP-2905361-B1 METHOD OF FORMING A METAL COATING TOYOTA MOTOR CO LTD (JP) 2022-01-05 EP disclosed
EP-2905361-A1 ELECTROPLATING CELL, METAL COATING AND METHOD OF FORMING THE SAME Toyota Jidosha Kabushiki Kaisha (JP) 2015-08-12 EP disclosed
EP-0291074-B1 PROCESS FOR PRODUCING QUATERNARY SALTS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-01-29 EP disclosed
US-4892944-A Process for producing quaternary salts MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US disclosed
EP-0291074-A2 Process for producing quaternary salts MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-11-17 EP disclosed