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 SCHEMBL6897171 | 1.00 | — | — | |
| Bicarbonate SCHEMBL2216670 | 0.94 | — | — | |
| Bicarbonate SCHEMBL4735634 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2351948 | 0.94 | CA4 (0.67) | — | |
| Bicarbonate SCHEMBL1332143 | 0.94 | — | — | |
| Bicarbonate SCHEMBL852 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28420909 | 0.94 | CA4 (0.67) | — | |
| Bicarbonate SCHEMBL2275798 | 0.94 | CA4 (0.67) | — | |
| Bicarbonate SCHEMBL3397279 | 0.89 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL23246204 | 0.88 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240368189-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMA (US) | 2024-11-07 | — | — | US | disclosed |
| WO-2024008121-A1 | DIFLUORO-SUBSTITUTED AZABICYCLO COMPOUNDS AND USES THEREOF | 南京明德新药研发有限公司 | 2024-01-11 | — | — | WO | disclosed |
| US-11866450-B2 | Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-01-09 | — | — | US | disclosed |
| EP-4198037-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2023-06-21 | — | — | EP | disclosed |
| EP-3752510-B1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| US-20220106331-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2022-04-07 | — | — | US | disclosed |
| US-11066417-B2 | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-07-20 | — | — | US | disclosed |
| WO-2021136034-A1 | ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | 陕西莱特光电材料股份有限公司 | 2021-07-08 | — | — | WO | disclosed |
| WO-2021004467-A1 | COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF | 南京明德新药研发有限公司 | 2021-01-14 | — | — | WO | disclosed |
| EP-3752510-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | Vertex Pharmaceuticals Incorporated (US) | 2020-12-23 | — | — | EP | disclosed |
| US-8486967-B2 | Heteroaryl substituted piperidines | HOFFMANN-LA ROCHE INC. (US) | 2013-07-16 | — | — | US | disclosed |
| EP-2536710-A2 | PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| EP-2531503-A1 | GAMMA SECRETASE MODULATERS | F. Hoffmann-La Roche AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011101304-A2 | PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-25 | — | — | WO | disclosed |
| US-20110201605-A1 | HETEROARYL SUBSTITUTED PIPERIDINES | HOFFMANN-LA ROCHE, INC. | 2011-08-18 | — | — | US | disclosed |
| WO-2011092272-A1 | GAMMA SECRETASE MODULATERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-04 | — | — | WO | disclosed |
| US-20110190269-A1 | GAMMA SECRETASE MODULATORS | HOFFMANN-LA ROCHE, INC. | 2011-08-04 | — | — | US | disclosed |
| EP-2091933-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | Wyeth (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20080153873-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-26 | — | — | US | disclosed |
| WO-2008073943-A1 | DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |