⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28570900 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL11121110 | 0.75 | — | — | |
| SCHEMBL136388 | 0.74 | — | — | |
| SCHEMBL4020 | 0.74 | — | — | |
| SCHEMBL109080 | 0.74 | — | — | |
| SCHEMBL15006 | 0.74 | — | — | |
| SCHEMBL21669 | 0.74 | — | — | |
| SCHEMBL10805026 | 0.74 | — | — | |
| SCHEMBL6245666 | 0.74 | — | — | |
| SCHEMBL7183508 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109575217-B | Polymerizable composition for optical material | SKC株式会社 | 2021-05-11 | — | — | CN | disclosed |