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 SCHEMBL27117514 | 0.94 | — | — | |
| Bicarbonate SCHEMBL1271252 | 0.93 | — | — | |
| Bicarbonate SCHEMBL28822774 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL2523713 | 0.93 | — | — | |
| Bicarbonate SCHEMBL7563121 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL29679 | 0.93 | — | — | |
| Bicarbonate SCHEMBL9467175 | 0.93 | — | — | |
| Bicarbonate SCHEMBL300524 | 0.93 | — | — | |
| Bicarbonate SCHEMBL8995629 | 0.93 | — | — | |
| Bicarbonate SCHEMBL18989451 | 0.93 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5034529-A | Reaction of a thiophosphorous halide with a hydroxypyrimidine | CIBA-GEIGY CORPORATION (US) | 1991-07-23 | — | — | US | disclosed |
| US-4326059-A | QUARTERNARY AMMONIUM PHASE TRANSFER AGENT | CIBA-GEIGY CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |
| US-4066642-A | PROCESS FOR THE PRODUCTION OF THIOPHOSPHORIC ACID ESTERS | CIBA-GEIGY CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |