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 SCHEMBL27350709 | 0.87 | — | — | |
| Benzene SCHEMBL28051917 | 0.77 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL27833719 | 0.76 | — | — | |
| SCHEMBL28320393 | 0.74 | — | — | |
| Bicarbonate SCHEMBL23522320 | 0.72 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL31145089 | 0.72 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL27782738 | 0.72 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL25188386 | 0.72 | LMNA (0.50) | — | |
| Bicarbonate SCHEMBL33932 | 0.72 | — | — | |
| Bicarbonate SCHEMBL28731853 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102320992-A | Preparation method for perfluoronitrile vinyl ether | SHANGHAI 3F NEW MATERIALS CO LTD | 2012-01-18 | — | — | CN | disclosed |