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 | |
|---|---|---|---|---|
| SCHEMBL11025 | 0.86 | — | — | |
| SCHEMBL1956229 | 0.86 | — | — | |
| SCHEMBL31255711 | 0.83 | — | — | |
| SCHEMBL21177233 | 0.83 | — | — | |
| SCHEMBL31170894 | 0.83 | — | — | |
| Charcoal, Activated SCHEMBL7905790 | 0.83 | — | — | |
| Bromide SCHEMBL31325357 | 0.83 | — | — | |
| SCHEMBL2538796 | 0.83 | — | — | |
| SCHEMBL31419536 | 0.83 | — | — | |
| Water SCHEMBL15512781 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307236-A2 | USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-05-07 | — | — | EP | disclosed |
| WO-2002013874-A2 | USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-02-21 | — | — | WO | disclosed |