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 SCHEMBL9303939 | 1.00 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL9332694 | 0.87 | — | — | |
| Oxalic Acid SCHEMBL5040673 | 0.87 | — | — | |
| Ethyl Chloride SCHEMBL15011473 | 0.87 | — | — | |
| Ethyl Chloride SCHEMBL1052272 | 0.84 | FFAR3 (0.44) | — | |
| Carbamic Acid SCHEMBL11431320 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL28807908 | 0.84 | — | — | |
| Bicarbonate SCHEMBL28016419 | 0.84 | — | — | |
| Ethyl Chloride SCHEMBL28331887 | 0.82 | — | — | |
| Acetone SCHEMBL27431396 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104203891-B | Process for producing alkoxy-hydroxybenzaldehydes substantially free of alkyl-alkoxy-hydroxybenzaldehydes | 罗地亚运作公司 | 2019-03-15 | — | — | CN | disclosed |