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 SCHEMBL7109437 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL4527463 | 0.94 | — | — | |
| Bicarbonate SCHEMBL14829871 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7021728 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4527467 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4735636 | 0.88 | — | — | |
| Bicarbonate SCHEMBL10909607 | 0.88 | — | — | |
| Bicarbonate SCHEMBL28479990 | 0.88 | — | — | |
| Bicarbonate SCHEMBL29125218 | 0.88 | — | — | |
| Bicarbonate SCHEMBL27117514 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025654-B1 | A WATER-IN-OIL TYPE COSMETIC COMPOSITION AND AN EMULSIFIER COMPOSITION | Kao Corporation (JP) | 1983-01-19 | — | — | EP | disclosed |