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 SCHEMBL17309672 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL9247439 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL10743359 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL10821897 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL5491026 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL4958654 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL10697570 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL1701669 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL11309619 | 0.94 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL7608551 | 0.94 | CA1 (0.56) | — |
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-0809605-A1 | METHOD FOR UTILISING TYRES TO CLEAN AND/OR FERTILISE WATER | POWELL, James Anthony (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996023731-A1 | METHOD FOR UTILISING TYRES TO CLEAN AND/OR FERTILISE WATER | POWELL JAMES ANTHONY (GB) | 1996-08-08 | — | — | WO | disclosed |