⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL10454840 | 0.87 | — | — | |
| Zinc Ion SCHEMBL57477 | 0.87 | — | — | |
| Water SCHEMBL9010862 | 0.75 | — | — | |
| Zinc Ion SCHEMBL29532469 | 0.75 | — | — | |
| Zinc Ion SCHEMBL32671768 | 0.75 | — | — | |
| Zinc Ion SCHEMBL23925180 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL2141812 | 0.67 | — | — | |
| SCHEMBL6672285 | 0.58 | — | — | |
| Magnesium Peroxide SCHEMBL28984 | 0.58 | — | — | |
| SCHEMBL273023 | 0.58 | — | — |
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-1111003-A2 | Improved polymer composition and process for producing vulcanizates thereof | Bayer Inc. (CA) | 2001-06-27 | — | — | EP | disclosed |
| US-20010004660-A1 | Polymer composition and process for producing vulcanizates thereof | BAYER INC. (CA) | 2001-06-21 | — | — | US | disclosed |