⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829489 | 0.58 | — | — | |
| Bicarbonate SCHEMBL28129229 | 0.57 | — | — | |
| Bicarbonate SCHEMBL11280337 | 0.55 | — | — | |
| Bicarbonate SCHEMBL28577539 | 0.55 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL29181726 | 0.55 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL47980 | 0.55 | CA1 (0.71) | — | |
| Bicarbonate SCHEMBL27082179 | 0.55 | CA1 (0.71) | — | |
| SCHEMBL15146091 | 0.54 | — | — | |
| SCHEMBL2828365 | 0.54 | — | — | |
| Acetic Acid SCHEMBL23070489 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516856-A | IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5051531-A | As polymerization catalysts and for crosslinking | ATOCHEM NORTH AMERICA, INC. (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0344733-A2 | Novel antioxidant-peroxides and their use | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1989-12-06 | — | — | EP | disclosed |