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 SCHEMBL6422023 | 0.97 | — | — | |
| Bicarbonate SCHEMBL27558295 | 0.93 | — | — | |
| Acetic Acid SCHEMBL10410245 | 0.84 | — | — | |
| Bromoacetic Acid SCHEMBL538970 | 0.84 | — | — | |
| Acetone SCHEMBL28356790 | 0.80 | — | — | |
| SCHEMBL28496359 | 0.79 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL7711194 | 0.78 | TSHR (0.56) | — | |
| Bicarbonate SCHEMBL9132745 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL887973 | 0.78 | — | — | |
| SCHEMBL411 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6358574-B1 | CROSSLINKED POLYSILOXANES | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2002-03-19 | — | — | US | disclosed |