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 SCHEMBL19074 | 0.93 | — | — | |
| Bicarbonate SCHEMBL27678386 | 0.86 | — | — | |
| Bicarbonate SCHEMBL28235568 | 0.86 | — | — | |
| Bicarbonate SCHEMBL28898411 | 0.86 | — | — | |
| Bicarbonate SCHEMBL15733185 | 0.86 | — | — | |
| Bicarbonate SCHEMBL570721 | 0.84 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL6478072 | 0.84 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL8322803 | 0.84 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL15271537 | 0.84 | — | — | |
| Bicarbonate SCHEMBL9672524 | 0.84 | CA1 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010061403-A2 | PROCESS TO PREPARE HIGHLY PURE (S)-PREGABALIN | IND-SWIFT LABORATORIES LIMITED (IN) | 2010-06-03 | — | — | WO | disclosed |
| US-7462742-B2 | In situ or one-pot hydrogenation and reductive amination process | ZACH SYSTEM (FR) | 2008-12-09 | — | — | US | disclosed |
| US-20080125606-A1 | In situ or one-pot hydrogenation and reductive amination process | PPG-SIPSY (FR) | 2008-05-29 | — | — | US | disclosed |