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 SCHEMBL2944488 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL28578816 | 0.94 | — | — | |
| Bicarbonate SCHEMBL3475168 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28583073 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL8909956 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28594223 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL6547389 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL28898418 | 0.89 | — | — | |
| Bicarbonate SCHEMBL1697622 | 0.88 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL25389 | 0.88 | — | — |
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-105829324-A | PESTICIDALLY ACTIVE SUBSTITUTED 5, 5-BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS | 先正达参股股份有限公司 | 2016-08-03 | — | — | CN | disclosed |