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 SCHEMBL29355886 | 0.94 | — | — | |
| Bicarbonate SCHEMBL21382654 | 0.94 | — | — | |
| Bicarbonate SCHEMBL121569 | 0.94 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL23415 | 0.94 | — | — | |
| Bicarbonate SCHEMBL29678 | 0.94 | — | — | |
| Bicarbonate SCHEMBL17685557 | 0.88 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL21680141 | 0.88 | — | — | |
| Bicarbonate SCHEMBL21059504 | 0.88 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL11293720 | 0.88 | — | — | |
| Bicarbonate SCHEMBL8038418 | 0.88 | CA4 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874907-A2 | COPPER COMPOSITIONS AND THEIR USE AS HYDROGENATION CATALYSTS | Archer-Daniels-Midland Company (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006116313-A2 | COPPER COMPOSITIONS AND THEIR USE AS HYDROGENATION CATALYSTS | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2006-11-02 | — | — | WO | disclosed |