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 SCHEMBL7652336 | 1.00 | GABRA1 (0.40) | — | |
| SCHEMBL3955272 | 0.90 | — | — | |
| Acetic Acid SCHEMBL427804 | 0.90 | — | — | |
| SCHEMBL9720250 | 0.86 | — | — | |
| SCHEMBL71779 | 0.86 | — | — | |
| SCHEMBL15282911 | 0.84 | GABRP (0.34) | — | |
| Hno SCHEMBL7066533 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL324840 | 0.83 | — | — | |
| SCHEMBL4279872 | 0.83 | — | — | |
| Charcoal, Activated SCHEMBL2280267 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112302588-A | CO reduction with imidazoline compounds2Method for driving out minimum miscible pressure | 中国石油化工股份有限公司 | 2021-02-02 | — | — | CN | disclosed |
| EP-0636648-A1 | Thermoplastic moulding matters | BAYER AG (DE) | 1995-02-01 | — | — | EP | disclosed |