⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL696287 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27501259 | 0.73 | — | — | |
| SCHEMBL25404655 | 0.70 | — | — | |
| SCHEMBL15645602 | 0.68 | — | — | |
| SCHEMBL2705118 | 0.64 | — | — | |
| SCHEMBL7223474 | 0.64 | — | — | |
| SCHEMBL4621458 | 0.60 | — | — | |
| SCHEMBL19991234 | 0.60 | — | — | |
| SCHEMBL4300067 | 0.60 | — | — | |
| SCHEMBL2991159 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0788458-B1 | METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA | ELF AQUITAINE (FR) | 1998-12-16 | — | — | EP | disclosed |
| EP-0788458-A1 | METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA | ELF AQUITAINE (FR) | 1997-08-13 | — | — | EP | disclosed |
| WO-1996012672-A1 | METHOD FOR THE CATALYTIC DISPROPORTIONATION OF HYDROPEROXIDES AND PEROXIDES IN AQUEOUS MEDIA | ELF AQUITAINE (FR) | 1996-05-02 | — | — | WO | disclosed |