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 | |
|---|---|---|---|---|
| SCHEMBL31328370 | 0.87 | — | — | |
| Bicarbonate SCHEMBL28231169 | 0.73 | CA1 (0.31) | — | |
| Bicarbonate SCHEMBL20423620 | 0.71 | FFAR3 (0.33) | — | |
| Bicarbonate SCHEMBL20423340 | 0.69 | FFAR3 (0.32) | — | |
| Bicarbonate SCHEMBL20423538 | 0.69 | ABAT (0.31) | — | |
| Bicarbonate SCHEMBL20423774 | 0.67 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL20423840 | 0.67 | ABAT (0.30) | — | |
| SCHEMBL9789536 | 0.67 | TSHR (0.32) | — | |
| Bicarbonate SCHEMBL20423785 | 0.65 | — | — | |
| Bicarbonate SCHEMBL698070 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11043699-B2 | Nonaqueous electrolyte solution and method for producing nonaqueous electrolyte secondary battery | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2021-06-22 | — | — | US | disclosed |
| US-20180219259-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND METHOD FOR PRODUCING NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2018-08-02 | — | — | US | disclosed |