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 SCHEMBL853 | 0.93 | — | — | |
| Bicarbonate SCHEMBL4268006 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL21405704 | 0.93 | — | — | |
| Bicarbonate SCHEMBL8535954 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL5458669 | 0.93 | — | — | |
| Bicarbonate SCHEMBL10746789 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL5458673 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL8531740 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL2718215 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL11067289 | 0.93 | CA1 (0.83) | — |
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-5998452-A | CARDIOVASCULAR DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1999-12-07 | — | — | US | disclosed |