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 | |
|---|---|---|---|---|
| SCHEMBL2135489 | 0.89 | — | — | |
| SCHEMBL2135484 | 0.89 | — | — | |
| SCHEMBL2443605 | 0.85 | — | — | |
| SCHEMBL1683149 | 0.77 | — | — | |
| SCHEMBL21082829 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL18897735 | 0.74 | — | — | |
| Bicarbonate SCHEMBL14053443 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL8017578 | 0.73 | ITGB3 (0.32) | — | |
| SCHEMBL8017579 | 0.73 | ITGB3 (0.32) | — | |
| SCHEMBL27582695 | 0.72 | KISS1R (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0043038-B1 | PROCESS FOR PREPARING MIXTURES OF UNSATURATED C9 CARBOXYLIC ACIDS | EC ERDÖLCHEMIE GMBH (DE) | 1983-06-22 | — | — | EP | disclosed |
| EP-0043038-A1 | Process for preparing mixtures of unsaturated C9 carboxylic acids | EC ERDÖLCHEMIE GMBH (DE) | 1982-01-06 | — | — | EP | disclosed |