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 SCHEMBL11274985 | 0.82 | ALDH1A1 (0.50) | — | |
| Nitrous Acid SCHEMBL11586179 | 0.80 | ALDH1A1 (0.75) | — | |
| Bicarbonate SCHEMBL5399710 | 0.80 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL28325840 | 0.78 | — | — | |
| Bicarbonate SCHEMBL28225161 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28340756 | 0.75 | CA1 (0.61) | — | |
| Nitrous Acid SCHEMBL1657920 | 0.75 | ALDH1A1 (0.67) | — | |
| Bicarbonate SCHEMBL28483835 | 0.75 | — | — | |
| Bicarbonate SCHEMBL2573935 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL2377993 | 0.75 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4332884-A | USING A DIOXIME CHELATING AGENT | RICOH CO., LTD. (JP) | 1982-06-01 | — | — | US | disclosed |
| US-4306014-A | AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM | RICOH CO., LTD. (JP) | 1981-12-15 | — | — | US | disclosed |