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 SCHEMBL28835010 | 1.00 | — | — | |
| Bicarbonate SCHEMBL2898264 | 0.94 | — | — | |
| Bicarbonate SCHEMBL11384299 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL9100985 | 0.94 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL28963761 | 0.89 | — | — | |
| Bicarbonate SCHEMBL27804102 | 0.89 | — | — | |
| Bicarbonate SCHEMBL27274240 | 0.89 | — | — | |
| Bicarbonate SCHEMBL59358 | 0.89 | — | — | |
| Bicarbonate SCHEMBL10909603 | 0.89 | — | — | |
| Bicarbonate SCHEMBL27737496 | 0.89 | — | — |
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-106040273-A | Preparation method and application of barium carbonate photocatalyst | 重庆工商大学 | 2016-10-26 | — | — | CN | disclosed |