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 SCHEMBL262245 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4451318 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL19511112 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL440938 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL2496023 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL578285 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL578313 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL25251920 | 0.82 | — | — | |
| Bicarbonate SCHEMBL21059472 | 0.82 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL991389 | 0.82 | CA4 (0.60) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4863706-A | TOOLS, BLADES, TOOLS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| US-4816239-A | GELATION, BORATION, DEHYDRATION ROASTING | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-03-28 | — | — | US | disclosed |
| US-4731234-A | Process for producing zirconium sols and gels, and process for producing zirconia using the same | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-15 | — | — | US | disclosed |