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 SCHEMBL5140510 | 0.95 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL4330856 | 0.95 | — | — | |
| Bicarbonate SCHEMBL647886 | 0.95 | — | — | |
| Bicarbonate SCHEMBL27529987 | 0.95 | CA4 (0.55) | — | |
| Bicarbonate SCHEMBL5346453 | 0.90 | — | — | |
| Bicarbonate SCHEMBL18838550 | 0.90 | — | — | |
| Bicarbonate SCHEMBL28034013 | 0.90 | — | — | |
| Bicarbonate SCHEMBL28853718 | 0.90 | — | — | |
| Bicarbonate SCHEMBL242848 | 0.90 | — | — | |
| Bicarbonate SCHEMBL27241874 | 0.90 | CA4 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140179713-A1 | POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3-YL) BUTYL] PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE AND PROCESS FOR PREPARING THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2014-06-26 | — | — | US | claimed |
| WO-2013175499-A2 | POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3- YL)BUTYL]PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE | CADILA HEALTHCARE LIMITED (IN) | 2013-11-28 | — | — | WO | claimed |
| US-7531600-B1 | Water-in-oil polymer emulsion containing microparticles | KROFF CHEMICAL COMPANY (US) | 2009-05-12 | — | — | US | claimed |
| CN-118083955-A | Preparation method and application of coal-based carbon fluoride anode material for sodium ion battery | 昆明理工大学 | 2024-05-28 | — | — | CN | disclosed |
| US-10012904-B2 | Lithographic printing plate precursors and coating | Mark'Andy Inc. (US) | 2018-07-03 | — | — | US | disclosed |
| EP-3063591-B1 | LITHOGRAPHIC PRINTING PLATE PRECURSORS AND COATING | ANOCOIL CORP (US) | 2018-04-04 | — | — | EP | disclosed |
| EP-3063591-A1 | LITHOGRAPHIC PRINTING PLATE PRECURSORS AND COATING | Anocoil Corporation (US) | 2016-09-07 | — | — | EP | disclosed |
| US-20160252813-A1 | Lithographic Printing Plate Precursors and Coating | VERICO TECHNOLOGY LLC | 2016-09-01 | — | — | US | disclosed |