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 SCHEMBL27671972 | 0.86 | — | — | |
| Bicarbonate SCHEMBL27689523 | 0.86 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL27671909 | 0.86 | — | — | |
| Bicarbonate SCHEMBL27670656 | 0.86 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL29539877 | 0.86 | — | — | |
| Bicarbonate SCHEMBL23200397 | 0.86 | — | — | |
| Bicarbonate SCHEMBL5925657 | 0.86 | — | — | |
| Bicarbonate SCHEMBL570721 | 0.84 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL15271537 | 0.84 | — | — | |
| Bicarbonate SCHEMBL1179 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008285-B | Particulate-type water-use for environment inorganic agent and the processing method using its water to being polluted by harmful substance | 株式会社神户制钢所 | 2017-03-29 | — | — | CN | disclosed |
| CN-105008285-A | Particulate water treatment agent for environment and method for treating water polluted by harmful substances using same | KOBE STEEL LTD | 2015-10-28 | — | — | CN | disclosed |