Known targets — ChEMBL curated mechanism
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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8929774 | 0.90 | — | — | |
| Bicarbonate SCHEMBL27540146 | 0.90 | — | — | |
| Bicarbonate SCHEMBL2122167 | 0.82 | — | — | |
| Bicarbonate SCHEMBL21598431 | 0.82 | — | — | |
| Bicarbonate SCHEMBL2334734 | 0.82 | CA1 (0.42) | — | |
| Bicarbonate SCHEMBL4592112 | 0.82 | — | — | |
| Bicarbonate SCHEMBL11327055 | 0.82 | — | — | |
| Bicarbonate SCHEMBL14814997 | 0.80 | CA1 (0.33) | — | |
| Acetic Acid SCHEMBL1307878 | 0.79 | — | — | |
| Bicarbonate SCHEMBL22436847 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230109111-A1 | NEW PYRIDO DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-04-06 | — | — | US | disclosed |
| WO-2020122182-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | 中外製薬株式会社 | 2020-06-18 | — | — | WO | disclosed |
| CN-110291065-A | A kind of new isoindoline derivative, its pharmaceutical composition and application | 康朴生物医药技术（上海）有限公司 | 2019-09-27 | — | — | CN | disclosed |
| EP-3533444-A1 | PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF | National University Corporation Chiba University (JP) | 2019-09-04 | — | — | EP | disclosed |
| CN-110167541-A | (S) application of-Norketamine and its salt as drug | 国立大学法人千叶大学 | 2019-08-23 | — | — | CN | disclosed |
| US-20190240184-A1 | PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF | NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) | 2019-08-08 | — | — | US | disclosed |
| CN-109890793-A | Novel anthelmintic quinoline-3-carboxamide derivatives | 拜耳动物保健有限责任公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-108699006-A | 3- ((hetero-) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative | 格吕伦塔尔有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-108290919-A | Azithromycin derivatives having epithelial barrier enhancing properties | 艾比恩多制药有限责任公司 | 2018-07-17 | — | — | CN | disclosed |