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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL31249677 | 0.88 | — | — | |
| Bicarbonate SCHEMBL701501 | 0.86 | CES2 (0.38) | — | |
| SCHEMBL1670108 | 0.84 | LMNA (0.43) | — | |
| SCHEMBL1512456 | 0.84 | LMNA (0.43) | — | |
| Malonic Acid SCHEMBL15654125 | 0.84 | LDHA (0.45) | — | |
| SCHEMBL177556 | 0.83 | — | — | |
| SCHEMBL216689 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL28789830 | 0.83 | ALDH1A1 (0.43) | — | |
| Methacrylic Acid SCHEMBL3458994 | 0.82 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL28092064 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0119463-B2 | PROCESS FOR THE SEPARATION OF ISOMERS OF SUBSTITUTED CYCLOPROPANECARBOXYLIC ACIDS | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1992-05-13 | — | — | EP | claimed |
| EP-0119463-B1 | PROCESS FOR THE SEPARATION OF ISOMERS OF SUBSTITUTED CYCLOPROPANECARBOXYLIC ACIDS | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1987-09-23 | — | — | EP | claimed |
| EP-0175920-A2 | Process for the production of derivatives of vinylcyclopropane carboxylic acid, intermediates and process for the production of these intermediates | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1986-04-02 | — | — | EP | disclosed |
| EP-0003060-B1 | PROCESS FOR THE SEPARATION OF STEREOISOMERS OF SUBSTITUTED VINYLCYCLOPROPANECARBOXYLIC ACIDS | BAYER AG (DE) | 1981-11-25 | — | — | EP | disclosed |
| EP-0003060-A1 | Process for the separation of stereoisomers of substituted vinylcyclopropanecarboxylic acids | BAYER AG (DE) | 1979-07-25 | — | — | EP | disclosed |