⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104655 | 0.95 | — | — | |
| SCHEMBL15910590 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL6915456 | 0.86 | — | — | |
| Hydrogen Peroxide SCHEMBL29013331 | 0.86 | — | — | |
| Hypochlorous Acid SCHEMBL7937095 | 0.86 | — | — | |
| SCHEMBL27975180 | 0.86 | — | — | |
| Acetic Acid SCHEMBL8061588 | 0.73 | FFAR3 (0.47) | — | |
| SCHEMBL13758012 | 0.70 | — | — | |
| SCHEMBL13376459 | 0.70 | — | — | |
| SCHEMBL16168511 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112384498-B | Process for preparing fluorinated peroxides | 索尔维公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-112384498-A | Process for preparing fluorinated peroxides | 索尔维公司 | 2021-02-19 | — | — | CN | disclosed |