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 SCHEMBL8672120 | 0.92 | — | — | |
| Acetic Acid SCHEMBL29109078 | 0.92 | FFAR3 (0.58) | — | |
| Acetone SCHEMBL15142738 | 0.87 | — | — | |
| Carbamic Acid SCHEMBL8559482 | 0.85 | — | — | |
| SCHEMBL2206 | 0.82 | — | — | |
| SCHEMBL8054304 | 0.82 | — | — | |
| Methacrylic Acid SCHEMBL20743095 | 0.79 | TDP1 (0.40) | — | |
| SCHEMBL9078915 | 0.77 | — | — | |
| SCHEMBL8525707 | 0.77 | — | — | |
| Water SCHEMBL5438890 | 0.77 | — | — |
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-5276187-A | Ketoxime carbonates and process for the synthesis of ketoxime carbonates generally | ALLIEDSIGNAL INC. (US) | 1994-01-04 | — | — | US | disclosed |
| WO-1993004037-A1 | KETOXIME CARBONATES AND PROCESS FOR THEIR SYNTHESIS | ALLIED-SIGNAL INC. (US) | 1993-03-04 | — | — | WO | disclosed |