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 SCHEMBL10706072 | 0.95 | — | — | |
| Bicarbonate SCHEMBL5076875 | 0.90 | — | — | |
| Bicarbonate SCHEMBL28085820 | 0.90 | — | — | |
| Bicarbonate SCHEMBL192950 | 0.89 | — | — | |
| Bicarbonate SCHEMBL541758 | 0.89 | CA4 (0.78) | — | |
| Acetic Acid SCHEMBL28849631 | 0.86 | CA1 (0.82) | — | |
| Acetic Acid SCHEMBL3714201 | 0.86 | CA1 (0.82) | — | |
| Bicarbonate SCHEMBL2236811 | 0.86 | — | — | |
| Acetic Acid SCHEMBL28271699 | 0.86 | — | — | |
| Bicarbonate SCHEMBL9861044 | 0.84 | CA1 (0.55) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105237473-B | The 4,5,6 multifunctional amino nicotinic acid nitrile derivatives of dough 2 and preparation method | 浙江大学 | 2017-12-26 | — | — | CN | disclosed |
| US-8907132-B2 | Process for preparing (R)-2-acetamido-N-benzyl-3-methoxy-propionamide | MSN LABORATORIES PRIVATE LIMITED (IN) | 2014-12-09 | — | — | US | disclosed |
| US-20130041180-A1 | PROCESS FOR PREPARING (R)-2-ACETAMIDO-N-BENZYL-3-METHOXY-PROPIONAMIDE | MSN LABORATORIES PRIVATE LIMITED (IN) | 2013-02-14 | — | — | US | disclosed |
| EP-2534127-A1 | PROCESS FOR PREPARING (R)-2-ACETAMIDO-N-BENZYL-3-METHOXY-PROPIONAMIDE | MSN Laboratories Limited (IN) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011099033-A1 | PROCESS FOR PREPARING (R)-2-ACETAMIDO-N-BENZYL-3-METHOXY-PROPIONAMIDE | MSN LABORATORIES LIMITED (IN) | 2011-08-18 | — | — | WO | disclosed |
| EP-0129074-B1 | ELASTOMERIC SILICONE FINISHES AND METHOD OF PREPARING SAME | UNION CARBIDE CORPORATION (US) | 1988-07-06 | — | — | EP | disclosed |
| US-4504549-A | Elastomeric silicone finishes applied to substrates and method of preparing same | UNION CARBIDE CORPORATION (US) | 1985-03-12 | — | — | US | disclosed |
| EP-0129074-A2 | Elastomeric silicone finishes and method of preparing same | UNION CARBIDE CORPORATION (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4215141-A | Combating insects and acarids with 4,4,5,5-tetrachloro-2,2-dimethyl-spiropentane-1-carboxylic acid 3-phenoxy-benzyl esters | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-29 | — | — | US | disclosed |