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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28764933 | 0.88 | — | — | |
| Bicarbonate SCHEMBL28226829 | 0.87 | ALDH1A1 (0.47) | — | |
| Tert-Butanol SCHEMBL8169028 | 0.82 | — | — | |
| Bicarbonate SCHEMBL28136957 | 0.82 | CA2 (0.50) | — | |
| Tert-Butanol SCHEMBL1204871 | 0.82 | ALDH1A1 (0.61) | — | |
| Bicarbonate SCHEMBL28154408 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL6194876 | 0.82 | ALDH1A1 (0.61) | — | |
| SCHEMBL25433 | 0.82 | — | — | |
| SCHEMBL26348120 | 0.80 | — | — | |
| Bicarbonate SCHEMBL9577103 | 0.78 | ALDH1A1 (0.57) | — |
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-117673371-A | Preparation method of current collector for non-negative electrode lithium metal battery, current collector and application | 中节能万润股份有限公司 | 2024-03-08 | — | — | CN | disclosed |