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 SCHEMBL564201 | 0.95 | — | — | |
| Maleic Acid SCHEMBL10536996 | 0.79 | TSHR (0.69) | — | |
| Fumaric Acid SCHEMBL7203784 | 0.79 | TSHR (0.69) | — | |
| Bicarbonate SCHEMBL1931 | 0.78 | — | — | |
| Bicarbonate SCHEMBL360784 | 0.78 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL1697623 | 0.78 | — | — | |
| Bicarbonate SCHEMBL4760181 | 0.78 | CA1 (0.83) | — | |
| Carbamic Acid SCHEMBL28133254 | 0.76 | — | — | |
| Acetic Acid SCHEMBL27893749 | 0.76 | — | — | |
| SCHEMBL14938711 | 0.76 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102388039-B | pyrazole derivatives as CCR4 receptor antagonists | GLAXO GROUP LTD | 2015-07-15 | — | — | CN | disclosed |