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 SCHEMBL4760181 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL2275803 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL1697623 | 0.93 | — | — | |
| Bicarbonate SCHEMBL29409678 | 0.93 | — | — | |
| Bicarbonate SCHEMBL1124623 | 0.93 | — | — | |
| Bicarbonate SCHEMBL1931 | 0.93 | — | — | |
| Bicarbonate SCHEMBL360784 | 0.93 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL2944491 | 0.86 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL2356640 | 0.86 | — | — | |
| Bicarbonate SCHEMBL11859686 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |