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 SCHEMBL1832154 | 0.90 | — | — | |
| Oxalic Acid SCHEMBL1837737 | 0.90 | TP53 (0.44) | — | |
| Lactic Acid SCHEMBL1836627 | 0.87 | TP53 (0.69) | — | |
| SCHEMBL16104649 | 0.84 | — | — | |
| SCHEMBL15452 | 0.84 | — | — | |
| SCHEMBL3075465 | 0.84 | — | — | |
| Pyruvate SCHEMBL1831473 | 0.84 | TP53 (0.40) | — | |
| Malonic Acid SCHEMBL27681731 | 0.84 | LDHA (0.53) | — | |
| Cadaverine Tartrate SCHEMBL1833969 | 0.84 | TSHR (0.59) | — | |
| Fumaric Acid SCHEMBL1838005 | 0.82 | ALDH1A1 (0.52) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | claimed |
| US-9328220-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2016-05-03 | — | — | US | disclosed |
| US-8992798-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2015-03-31 | — | — | US | disclosed |
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| US-20140187684-A1 | LIQUIDS | INNOVIA FILMS LIMITED (GB) | 2014-07-03 | — | — | US | disclosed |
| CN-1997620-B | Ionic liquids comprising nitrogen-containing cations | UNIV YORK | 2012-10-03 | — | — | CN | disclosed |
| CN-102344379-A | Ionic liquid containing nitrogen-containing cation | UNIV YORK | 2012-02-08 | — | — | CN | disclosed |
| US-20110257433-A1 | LIQUIDS | THE UNIVERSITY OF YORK (GB) | 2011-10-20 | — | — | US | disclosed |
| EP-2322497-A1 | Ionic liquids comprising nitrogen containing cations | Innovia Films Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | disclosed |