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 SCHEMBL559423 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5875137 | 0.94 | — | — | |
| Bicarbonate SCHEMBL3972451 | 0.94 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL28996448 | 0.89 | — | — | |
| Bicarbonate SCHEMBL28996422 | 0.89 | — | — | |
| Acetic Acid SCHEMBL28979634 | 0.84 | FFAR3 (0.70) | — | |
| Benzene SCHEMBL28220289 | 0.84 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL28042547 | 0.82 | — | — | |
| Bicarbonate SCHEMBL1697623 | 0.82 | — | — | |
| Bicarbonate SCHEMBL4760181 | 0.82 | CA1 (0.83) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106132943-B | The polymerizable compound being substituted with halogen atoms | 日产化学工业株式会社 | 2019-09-20 | — | — | CN | disclosed |
| CN-107108540-B | Butyrolactone compound and manufacturing method | 日产化学工业株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-109416485-A | Aligning agent for liquid crystal, liquid crystal orientation film, liquid crystal indicate element and novel monomeric | 日产化学株式会社 | 2019-03-01 | — | — | CN | disclosed |
| CN-105051133-B | Composition for forming cured film, alignment material, and phase difference material | 日产化学工业株式会社 | 2018-08-28 | — | — | CN | disclosed |
| CN-107108540-A | Butyrolactone compound and manufacture method | 日产化学工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-107108541-A | The manufacture method of butyrolactone compound | 日产化学工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-106132943-A | The polymerizable compound being substituted with halogen atoms | 日产化学工业株式会社 | 2016-11-16 | — | — | CN | disclosed |