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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL3155394 | 0.90 | TP53 (0.61) | — | |
| Isopropyl Alcohol SCHEMBL538205 | 0.90 | TP53 (0.61) | — | |
| Isopropyl Alcohol SCHEMBL9737750 | 0.90 | — | — | |
| Acetic Acid SCHEMBL18528147 | 0.86 | — | — | |
| Oxalic Acid SCHEMBL28595430 | 0.86 | TP53 (0.57) | — | |
| Bicarbonate SCHEMBL4892629 | 0.86 | TP53 (0.57) | — | |
| Bicarbonate SCHEMBL8964739 | 0.86 | TP53 (0.57) | — | |
| Isopropyl Alcohol SCHEMBL15251690 | 0.86 | TP53 (0.57) | — | |
| Isopropyl Alcohol SCHEMBL28292853 | 0.86 | TP53 (0.57) | — | |
| Isopropyl Alcohol SCHEMBL28288247 | 0.86 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134675-B1 | METHOD FOR THE CO-PRODUCTION OF CYCLIC CARBONATES AND AMINO ACIDS | ARKEMA FRANCE (FR) | 2011-07-06 | — | — | EP | claimed |
| EP-2152661-B1 | COPRODUCTION OF CYCLIC CARBONATES AND OF NITRILES AND/OR OF FATTY AMINES | ARKEMA FRANCE (FR) | 2010-10-06 | — | — | EP | claimed |
| US-10730846-B2 | Method of producing epoxy compound and catalyst composition for epoxidation reaction | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-08-04 | — | — | US | disclosed |
| US-20170204077-A1 | Method of Producing Epoxy Compound and Catalyst Composition for Epoxidation Reaction | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-07-20 | — | — | US | disclosed |
| US-9650353-B2 | Method for producing epoxy compound and catalyst composition for epoxidation reaction | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-05-16 | — | — | US | disclosed |
| CN-102569763-A | Heterojunction nano material, lithium ion battery negative electrode plate and lithium ion battery | HUAWEI TECH CO LTD | 2012-07-11 | — | — | CN | disclosed |