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 SCHEMBL14563605 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL2707848 | 0.95 | — | — | |
| Bicarbonate SCHEMBL7159869 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL419170 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL15513824 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL6536657 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL1003571 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL10995950 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL14563794 | 0.95 | CA4 (0.39) | — | |
| Bicarbonate SCHEMBL14563468 | 0.95 | CA4 (0.39) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5627303-A | ALDOL CONDENSATION OF ACETONE, CALCINED MAGNESIUM/ALUMINUM MIXED OXIDE CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-05-06 | — | — | US | claimed |
| EP-0640387-A1 | Preparation of isophorone using a magnesium/aluminum mixed oxide catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-03-01 | — | — | EP | claimed |
| EP-0640388-A1 | Magnesium/aluminum mixed oxide catalysts and their use in the production of aminoethers | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-03-01 | — | — | EP | claimed |
| EP-3497060-B1 | SYNTHETIC HYDROTALCITE | HEUBACH COLOUR PVT LTD (IN) | 2020-07-29 | — | — | EP | disclosed |
| CN-107400334-A | Epoxy resin composition for semiconductor encapsulation and method for producing semiconductor device | 住友电木株式会社 | 2017-11-28 | — | — | CN | disclosed |
| CN-103168116-B | Cold rolled steel sheet | 杰富意钢铁株式会社 | 2017-06-13 | — | — | CN | disclosed |
| CN-103124636-A | Cold-rolled steel sheet | JFE STEEL CORP | 2013-05-29 | — | — | CN | disclosed |
| CN-102630199-A | Zinc-based plated steel sheet | JFE STEEL CORP | 2012-08-08 | — | — | CN | disclosed |
| WO-2012043610-A1 | COLD-ROLLED STEEL SHEET | ＪＦＥスチール株式会社 (JP) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012043511-A1 | COLD-ROLLED STEEL SHEET | ＪＦＥスチール株式会社 (JP) | 2012-04-05 | — | — | WO | disclosed |
| WO-2011065514-A1 | GALVANIZED STEEL SHEET | ＪＦＥスチール株式会社 (JP) | 2011-06-03 | — | — | WO | disclosed |
| US-5627303-A | ALDOL CONDENSATION OF ACETONE, CALCINED MAGNESIUM/ALUMINUM MIXED OXIDE CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-05-06 | — | — | US | disclosed |
| US-5627303-A | ALDOL CONDENSATION OF ACETONE, CALCINED MAGNESIUM/ALUMINUM MIXED OXIDE CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-05-06 | — | — | US | disclosed |
| EP-0640387-A1 | Preparation of isophorone using a magnesium/aluminum mixed oxide catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0640387-A1 | Preparation of isophorone using a magnesium/aluminum mixed oxide catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0640388-A1 | Magnesium/aluminum mixed oxide catalysts and their use in the production of aminoethers | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-03-01 | — | — | EP | disclosed |
| US-5179063-A | Mixing with sodium polyphosphate and roasting | PHILLIPS PETROLEUM COMPANY (US) | 1993-01-12 | — | — | US | disclosed |
| US-4911904-A | Oxidation catalyst of hydrotalcite, platimum metal and iron oxide | PHILLIPS PETROLEUM COMPANY (US) | 1990-03-27 | — | — | US | disclosed |
| US-4902660-A | PLATINUM/IRON PROMOTED WITH HYDROTALCITE | PHILLIPS PETROLEUM COMPANY (US) | 1990-02-20 | — | — | US | disclosed |
| EP-0330224-A1 | Catalytic oxidation of carbon monoxide | PHILLIPS PETROLEUM COMPANY (US) | 1989-08-30 | — | — | EP | disclosed |