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 SCHEMBL27380629 | 0.94 | CYP19A1 (0.36) | — | |
| Acetic Acid SCHEMBL28709986 | 0.91 | — | — | |
| Bicarbonate SCHEMBL2849189 | 0.89 | SHBG (0.39) | — | |
| Bicarbonate SCHEMBL2862271 | 0.88 | ALOX5 (0.38) | — | |
| Bicarbonate SCHEMBL10453278 | 0.88 | CYP1A2 (0.39) | — | |
| Bicarbonate SCHEMBL9581089 | 0.87 | SMYD3 (0.37) | — | |
| Bicarbonate SCHEMBL6470832 | 0.86 | CYP1A2 (0.42) | — | |
| Cyclopropane Carboxylic Acid SCHEMBL11636034 | 0.84 | LMNA (0.60) | — | |
| SCHEMBL879831 | 0.84 | LMNA (0.60) | — | |
| SCHEMBL178465 | 0.84 | LMNA (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2154138-B1 | NOVEL COMPOUNDS FOR TREATMENT OF PSYCHOTIC DISORDERS, PREPARATION METHODS AND USES THEREOF | LI YOUXIN (CN) | 2015-08-19 | — | — | EP | claimed |
| CN-118489175-A | Secondary battery and method for manufacturing the same | 株式会社LG新能源 | 2024-08-13 | — | — | CN | disclosed |
| CN-106663835-B | Flexible secondary battery and method for manufacturing the same | JENAX股份有限公司 | 2020-05-26 | — | — | CN | disclosed |
| EP-0220220-B1 | PROCESS OF PREPARING 2,2-DIBROMO-3-OXONITRILES | Henkel Kommanditgesellschaft auf Aktien (DE) | 1990-05-23 | — | — | EP | disclosed |
| EP-0220250-A1 | UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1987-05-06 | — | — | EP | disclosed |
| EP-0220220-A1 | Process of preparing 2,2-dibromo-3-oxonitriles. | HENKEL KGAA (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006369-A1 | ANTI-MICROBIAL NITRILE AND ITS PRODUCTION | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-11-06 | — | — | WO | disclosed |
| WO-1986006254-A1 | UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1986-11-06 | — | — | WO | disclosed |