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 SCHEMBL9752410 | 1.00 | — | — | |
| Bicarbonate SCHEMBL9752418 | 0.82 | CTSK (0.34) | — | |
| Bicarbonate SCHEMBL21834047 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL21874829 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL6674971 | 0.70 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL29229984 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL4531238 | 0.68 | AKR1B1 (0.40) | — | |
| SCHEMBL9354519 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL30457813 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL1029546 | 0.67 | CYP2C9 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000301-A1 | (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES | AKZO N.V. (NL) | 1991-01-10 | — | — | WO | disclosed |