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 SCHEMBL10745387 | 0.95 | CA4 (0.47) | — | |
| Bicarbonate SCHEMBL10978824 | 0.95 | CA4 (0.47) | — | |
| Bicarbonate SCHEMBL6811983 | 0.90 | — | — | |
| Bicarbonate SCHEMBL1012396 | 0.89 | — | — | |
| Bicarbonate SCHEMBL83 | 0.89 | — | — | |
| Bicarbonate SCHEMBL5403678 | 0.89 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL15321596 | 0.89 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL222994 | 0.89 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL1332486 | 0.89 | — | — | |
| Bicarbonate SCHEMBL1332636 | 0.89 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107129477-A | The preparation method of (dihydronaphthalene [the 2,3-c] -6- furyls of (1R, 3aR, 4aR, 6R, 8aR, 9S, 9aR) -9- formoxyl -1- methyl -3- oxa-s ten) carboxylic acid, ethyl ester | 上海星泰医药科技有限公司 | 2017-09-05 | — | — | CN | claimed |
| CN-109963886-A | Phospha guanidine IV race metal olefin polymerization catalyst | 陶氏环球技术有限责任公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-109963885-A | Guanidine diphosphate and guanidine polyphosphate ligands and group IV metal catalysts produced therefrom | 陶氏环球技术有限责任公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-109963884-A | Doubly-linked phosphaguanidine group IV metal complexes and olefin polymerization catalysts therefrom | 陶氏环球技术有限责任公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-107129477-A | The preparation method of (dihydronaphthalene [the 2,3-c] -6- furyls of (1R, 3aR, 4aR, 6R, 8aR, 9S, 9aR) -9- formoxyl -1- methyl -3- oxa-s ten) carboxylic acid, ethyl ester | 上海星泰医药科技有限公司 | 2017-09-05 | — | — | CN | disclosed |
| EP-2501704-B1 | Spiropiperidine compounds as oral-1 receptor antagagonisten | LILLY CO ELI (US) | 2013-09-18 | — | — | EP | disclosed |
| EP-2501703-B1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2013-09-18 | — | — | EP | disclosed |
| EP-2501703-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | Eli Lilly and Company (US) | 2012-09-26 | — | — | EP | disclosed |
| US-20120214784-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2012-08-23 | — | — | US | disclosed |
| US-8232289-B2 | Spiropiperidine compounds as ORL-1 receptor antagonists | ELI LILLY AND COMPANY (US) | 2012-07-31 | — | — | US | disclosed |
| US-20110118251-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | US | disclosed |
| WO-2011060035-A1 | SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |