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 SCHEMBL4076526 | 0.94 | — | — | |
| Bicarbonate SCHEMBL16175792 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL11225812 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2491982 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28154069 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28926379 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28808858 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4076529 | 0.94 | — | — | |
| Bicarbonate SCHEMBL14575426 | 0.88 | — | — | |
| Bicarbonate SCHEMBL12505841 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103031602-A | Nonlinear optical crystal potassium calcium carbonate fluoride | FUJIAN MATTER STRUCTURE | 2013-04-10 | — | — | CN | claimed |
| CN-103031602-A | Nonlinear optical crystal potassium calcium carbonate fluoride | FUJIAN MATTER STRUCTURE | 2013-04-10 | — | — | CN | disclosed |
| CN-103031602-A | Nonlinear optical crystal potassium calcium carbonate fluoride | FUJIAN MATTER STRUCTURE | 2013-04-10 | — | — | CN | disclosed |