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 SCHEMBL3397277 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL2216673 | 0.94 | — | — | |
| Bicarbonate SCHEMBL6901253 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL1318470 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2502923 | 0.94 | — | — | |
| Bicarbonate SCHEMBL6902970 | 0.94 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL8144221 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7558223 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5346447 | 0.94 | — | — | |
| Bicarbonate SCHEMBL59688 | 0.94 | CA1 (0.71) | — |
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-104873538-A | A universal type body surface chemical burn emergency decontamination product | RUAN SHIRONG | 2015-09-02 | — | — | CN | disclosed |