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 SCHEMBL28366723 | 1.00 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL19129 | 1.00 | — | — | |
| Bicarbonate SCHEMBL10886148 | 0.93 | — | — | |
| Bicarbonate SCHEMBL16637902 | 0.93 | — | — | |
| Bicarbonate SCHEMBL8009117 | 0.93 | — | — | |
| Bicarbonate SCHEMBL13725824 | 0.93 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL81420 | 0.93 | — | — | |
| Bicarbonate SCHEMBL6264753 | 0.93 | — | — | |
| Bicarbonate SCHEMBL20597716 | 0.93 | — | — | |
| Bicarbonate SCHEMBL904554 | 0.93 | — | — |
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-104017011-B | The preparation method of [2-(2-methyl allyloxy) phenoxy group] hydroxycarboxylic acid aluminium and application | HUNAN HAILI ZHUZHOU FINE CHEMICALS CO., LTD. (CN) | 2016-04-27 | — | — | CN | disclosed |