Bicarbonate

Bicarbonate

SCHEMBL28519258

CCCN1C=CN(C)C1.O=C(O)O

nearest known ligand 0.33

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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 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30

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 SCHEMBL27987313 0.94 ALDH1A1 (0.31) L3MBTL1
Urea SCHEMBL28287663 0.90 CA1 (0.31)
Benzene SCHEMBL27824069 0.89 MAPT (0.32)
SCHEMBL293657 0.89
SCHEMBL27991715 0.89 CA1 (0.31)
Bicarbonate SCHEMBL23500108 0.88 CA2 (0.35) KDM4EALOX15
Urea SCHEMBL28281517 0.88 CA1 (0.31)
Lactic Acid SCHEMBL29169375 0.87 TP53 (0.38) ALOX15
Bromide SCHEMBL557295 0.87
Ammonia Solution, Strong SCHEMBL28215623 0.87

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-112321399-B Preparation method of chemical intermediate 漯河豫博生物化工有限公司 2022-10-18 CN claimed
CN-112299968-B Preparation method of chemical raw material 广州彼西络科技有限公司 2022-05-06 CN claimed
CN-112479838-A Application of imidazole carbonate in preparation of chemical intermediates 山东卓俊实业有限公司 2021-03-12 CN claimed
CN-112321399-A Preparation method of chemical intermediate 山东卓俊实业有限公司 2021-02-05 CN claimed
CN-112299968-A Preparation method of chemical raw material 山东卓俊实业有限公司 2021-02-02 CN claimed
CN-111117594-B Electrochromic material and electrochromic device based on dynamic metal-ligand complexation 吉林大学 2024-03-26 CN disclosed
CN-112321399-B Preparation method of chemical intermediate 漯河豫博生物化工有限公司 2022-10-18 CN disclosed
CN-112299968-B Preparation method of chemical raw material 广州彼西络科技有限公司 2022-05-06 CN disclosed
CN-112479838-A Application of imidazole carbonate in preparation of chemical intermediates 山东卓俊实业有限公司 2021-03-12 CN disclosed
CN-112321399-A Preparation method of chemical intermediate 山东卓俊实业有限公司 2021-02-05 CN disclosed
CN-112299968-A Preparation method of chemical raw material 山东卓俊实业有限公司 2021-02-02 CN disclosed
CN-112299969-A Application of imidazole carbonate in preparation of important chemical raw materials 山东卓俊实业有限公司 2021-02-02 CN disclosed