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 SCHEMBL5074467 | 0.94 | — | — | |
| Bicarbonate SCHEMBL904554 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28214952 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5553271 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL904704 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2202761 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL5613815 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL5557762 | 0.88 | — | — | |
| Bicarbonate SCHEMBL14563606 | 0.88 | — | — | |
| Bicarbonate SCHEMBL81418 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003036847-A | LITHIUM-CHROMIUM-TITANIUM OXIDE HAVING RAMSDELLITE TYPE CRYSTAL STRUCTURE, ITS PRODUCTION METHOD AND LITHIUM SECONDARY BATTERY USING ITS OXIDE | NATIONAL INSTITUTE FOR MATERIALS SCIENCE | 2003-02-07 | — | — | JP | disclosed |
| US-4221771-A | REACTING ALUMINUM HYDROXIDE WITH SODIUM BICARBONATE | J. M. HUBER CORPORATION (US) | 1980-09-09 | — | — | US | disclosed |