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 SCHEMBL8206114 | 0.94 | — | — | |
| Bicarbonate SCHEMBL8206117 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2562235 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28858591 | 0.89 | — | — | |
| Bicarbonate SCHEMBL10909603 | 0.89 | — | — | |
| Bicarbonate SCHEMBL6857176 | 0.89 | — | — | |
| Bicarbonate SCHEMBL6428169 | 0.89 | — | — | |
| Bicarbonate SCHEMBL14576831 | 0.89 | — | — | |
| Bicarbonate SCHEMBL18989584 | 0.89 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL5072811 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015108900-A1 | PROCESS AND COMPOSITION FOR PRODUCING OIL | SHELL OIL COMPANY (US) | 2015-07-23 | — | — | WO | disclosed |
| US-20150197685-A1 | PROCESS AND COMPOSITION FOR PRODUCING OIL | SHELL OIL COMPANY | 2015-07-16 | — | — | US | disclosed |