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 SCHEMBL1697622 | 0.94 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL1930 | 0.94 | — | — | |
| Bicarbonate SCHEMBL5535181 | 0.88 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL9853697 | 0.88 | — | — | |
| Bicarbonate SCHEMBL4299405 | 0.88 | — | — | |
| Bicarbonate SCHEMBL23702350 | 0.88 | — | — | |
| Bicarbonate SCHEMBL7520168 | 0.88 | — | — | |
| Bicarbonate SCHEMBL232588 | 0.88 | — | — | |
| Bicarbonate SCHEMBL3417892 | 0.88 | — | — | |
| Bicarbonate SCHEMBL17626746 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035825-A1 | N'-(4-(BENZYLAMINO)-PHENYL)-N-ETHYL-N-METHYLFORMIMIDAMIDE DERIVATIVES AND RELATED COMPOUNDS FOR PROTECTING AGRICULTURAL CROPS AGAINST PHYTOPATHOGENIC MICROORGANISMS | PI INDUSTRIES LTD (IN) | 2020-02-20 | — | — | WO | disclosed |
| US-8080552-B2 | Pyrimidyl derivatives as protein kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2011-12-20 | — | — | US | disclosed |
| EP-2102173-B1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-10-20 | — | — | EP | disclosed |
| US-20100041684-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | HOFFMANN-LA ROCHE, INC. | 2010-02-18 | — | — | US | disclosed |
| EP-2102173-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008077548-A1 | PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-03 | — | — | WO | disclosed |