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 SCHEMBL9299559 | 0.94 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL9442720 | 0.94 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL5346444 | 0.94 | — | — | |
| Bicarbonate SCHEMBL242847 | 0.94 | — | — | |
| Bicarbonate SCHEMBL6013375 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5572362 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4306718 | 0.94 | — | — | |
| Bicarbonate SCHEMBL27415813 | 0.89 | — | — | |
| Bicarbonate SCHEMBL367726 | 0.88 | — | — | |
| Bicarbonate SCHEMBL20212138 | 0.88 | CA1 (0.71) | — |
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-105801414-A | Bicyclo[3,3,0]octane polymerizable compound | 石家庄诚志永华显示材料有限公司 | 2016-07-27 | — | — | CN | disclosed |