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 SCHEMBL1697622 | 0.94 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL1930 | 0.94 | — | — | |
| Bicarbonate SCHEMBL369397 | 0.88 | — | — | |
| Bicarbonate SCHEMBL7520168 | 0.88 | — | — | |
| Bicarbonate SCHEMBL1902565 | 0.88 | — | — | |
| Bicarbonate SCHEMBL23702350 | 0.88 | — | — | |
| Bicarbonate SCHEMBL17626746 | 0.88 | — | — | |
| Bicarbonate SCHEMBL232588 | 0.88 | — | — | |
| Bicarbonate SCHEMBL5535181 | 0.88 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL2763174 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090270623-A1 | PROCESS FOR PRODUCTION OF CINNAMIDE DERIVATIVE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-10-29 | — | — | US | disclosed |
| CN-101309916-A | Process for preparing cinnamamide derivatives | EISAI R&D MAN CO LTD (JP) | 2008-11-19 | — | — | CN | disclosed |
| EP-1950211-A1 | PROCESS FOR PRODUCTION OF CINNAMAMIDE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2008-07-30 | — | — | EP | disclosed |