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 SCHEMBL3326642 | 0.91 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL28044388 | 0.91 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL3802190 | 0.87 | CA1 (0.33) | — | |
| Bicarbonate SCHEMBL3824855 | 0.78 | CA4 (0.43) | — | |
| Bicarbonate SCHEMBL11794385 | 0.73 | CA1 (0.55) | — | |
| Bicarbonate SCHEMBL8594161 | 0.73 | CA1 (0.55) | — | |
| Sulfurous Acid SCHEMBL27336542 | 0.70 | — | — | |
| Sulfurous Acid SCHEMBL28218928 | 0.70 | — | — | |
| Bicarbonate SCHEMBL27757849 | 0.70 | — | — | |
| Sulfurous Acid SCHEMBL27751462 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4322214-A | USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING | ASAHI CHEMICAL COMPANY LIMITED (JP) | 1982-03-30 | — | — | US | disclosed |