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 SCHEMBL28366722 | 0.95 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL122091 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL251417 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL30547294 | 0.91 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL28534382 | 0.91 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL28790281 | 0.91 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL8995977 | 0.89 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL15824258 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL7062462 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL4981451 | 0.89 | CA4 (0.42) | — |
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-5558858-A | ADSORBTIVE PROTEIN-BINDING COORDINATION COMPOUNDS, TOPICAL SKIN PREPARATIONS | REHEIS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0072142-A2 | Preparation of co-dried aluminium oxyhydroxides | REHEIS, INC. (US) | 1983-02-16 | — | — | EP | disclosed |