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 SCHEMBL10962541 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL28482715 | 0.94 | — | — | |
| Bicarbonate SCHEMBL10347251 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2502923 | 0.94 | — | — | |
| Bicarbonate SCHEMBL3296427 | 0.94 | — | — | |
| Bicarbonate SCHEMBL10347250 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7558223 | 0.94 | — | — | |
| Bicarbonate SCHEMBL3288124 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4541168 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28074747 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8277683-B2 | Nano-sized structured layered positive electrode materials to enable high energy density and high rate capability lithium batteries | UCHICAGO ARGONNE, LLC (US) | 2012-10-02 | — | — | US | disclosed |
| US-20090297947-A1 | Nano-sized structured layered positive electrode materials to enable high energy density and high rate capability lithium batteries | UCHICAGO ARGONNE, LLC | 2009-12-03 | — | — | US | disclosed |