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 | |
|---|---|---|---|---|
| SCHEMBL213373 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1258481 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7365593 | 0.81 | — | — | |
| Bromide SCHEMBL212712 | 0.81 | — | — | |
| Bromide SCHEMBL21049419 | 0.81 | — | — | |
| Guanidine SCHEMBL5966163 | 0.79 | OR51E2 (0.41) | — | |
| Bicarbonate SCHEMBL2427929 | 0.76 | — | — | |
| Guanidine SCHEMBL14677179 | 0.76 | ACHE (0.55) | — | |
| Guanidine SCHEMBL1319550 | 0.76 | ACHE (0.55) | — | |
| Guanidine SCHEMBL5102 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10179785-B2 | Imidazotriazinone or imidazopyrazinone derivatives, and use thereof | ST PHARM CO., LTD. (KR) | 2019-01-15 | — | — | US | disclosed |
| US-20170166572-A1 | NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF | ST PHARM CO., LTD. (KR) | 2017-06-15 | — | — | US | disclosed |
| EP-3166946-A2 | NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF | ST Pharm Co. Ltd. (KR) | 2017-05-17 | — | — | EP | disclosed |
| WO-2016006975-A2 | NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF | ST PHARM CO., LTD. (KR) | 2016-01-14 | — | — | WO | disclosed |