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 SCHEMBL2227181 | 0.94 | CA4 (0.46) | — | |
| Bicarbonate SCHEMBL14333845 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL29577271 | 0.89 | — | — | |
| Bicarbonate SCHEMBL15401807 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL3446226 | 0.89 | CA4 (0.42) | — | |
| Bicarbonate SCHEMBL29242879 | 0.89 | — | — | |
| Bicarbonate SCHEMBL15401810 | 0.89 | — | — | |
| Bicarbonate SCHEMBL7906786 | 0.88 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL43478 | 0.88 | — | — | |
| Bicarbonate SCHEMBL25331914 | 0.84 | CA4 (0.50) | — |
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-5149460-A | Composition for H2 S removal | SHELL OIL COMPANY (US) | 1992-09-22 | — | — | US | disclosed |
| US-4871520-A | Process and composition for H2 S removal | SHELL OIL COMPANY (US) | 1989-10-03 | — | — | US | disclosed |