⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30569 | 0.77 | — | — | |
| SCHEMBL29171272 | 0.75 | FDPS (0.32) | — | |
| SCHEMBL3139344 | 0.72 | — | — | |
| SCHEMBL10766627 | 0.71 | CTSA (0.39) | — | |
| SCHEMBL8850161 | 0.71 | — | — | |
| Hypophosphorous Acid SCHEMBL7155853 | 0.70 | — | — | |
| SCHEMBL8850158 | 0.69 | — | — | |
| Methacrylic Acid SCHEMBL18047543 | 0.68 | PEPD (0.38) | — | |
| SCHEMBL7122410 | 0.67 | MPI (0.31) | — | |
| SCHEMBL5557883 | 0.64 | ALDH1A1 (0.33) | — |
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-108080031-A | The method and the catalyst carrier for this method for obtaining hydrogen peroxide | 索尔维公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-106029222-A | Method for obtaining hydrogen peroxide, and catalyst support for use in said method | 索尔维公司 | 2016-10-12 | — | — | CN | disclosed |