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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28017659 | 0.86 | CA1 (0.36) | — | |
| Acetic Acid SCHEMBL28014079 | 0.86 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL1563325 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28017112 | 0.84 | CA1 (0.35) | — | |
| Acetone SCHEMBL4541424 | 0.82 | — | — | |
| Potassium Ion SCHEMBL9834461 | 0.81 | — | — | |
| SCHEMBL4361674 | 0.81 | — | — | |
| SCHEMBL15544478 | 0.81 | — | — | |
| Acetic Acid SCHEMBL9630666 | 0.80 | FFAR3 (0.35) | — | |
| SCHEMBL9393292 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452225-A | Triazole ethyl Isatine derivatives and its preparation method and application | UNIV SOUTHWEST | 2019-11-15 | — | — | CN | claimed |
| CN-110452225-A | Triazole ethyl Isatine derivatives and its preparation method and application | UNIV SOUTHWEST | 2019-11-15 | — | — | CN | disclosed |