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 SCHEMBL21647796 | 1.00 | — | — | |
| Bicarbonate SCHEMBL28209585 | 0.94 | — | — | |
| Bicarbonate SCHEMBL7705691 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL8000370 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL8209384 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL10904150 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL294626 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL21796220 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL5836395 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL308226 | 0.93 | — | — |
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-109422731-A | Deuterated quinoline | 正大天晴药业集团股份有限公司 | 2019-03-05 | — | — | CN | disclosed |