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 SCHEMBL9005152 | 0.81 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL9492587 | 0.81 | CA1 (0.39) | — | |
| Benzene SCHEMBL626626 | 0.78 | CA9 (0.36) | — | |
| Bicarbonate SCHEMBL18685960 | 0.78 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL3784747 | 0.75 | CA1 (0.33) | — | |
| Cyclohexane SCHEMBL10358872 | 0.75 | CA1 (0.33) | — | |
| Cyclopentane SCHEMBL525206 | 0.75 | CA1 (0.33) | — | |
| Cyclooctane SCHEMBL9815451 | 0.75 | CA1 (0.33) | — | |
| Butane SCHEMBL727081 | 0.71 | FFAR3 (0.36) | — | |
| Bicarbonate SCHEMBL5695776 | 0.70 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0718666-B1 | Liquid crystal-aligning agent | JSR CORP (JP) | 2003-03-26 | — | — | EP | claimed |