⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22471681 | 0.83 | — | — | |
| SCHEMBL22482945 | 0.77 | — | — | |
| SCHEMBL22471662 | 0.71 | SLC6A2 (0.39) | — | |
| SCHEMBL22484312 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL2107956 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL22471646 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL22470055 | 0.68 | — | — | |
| SCHEMBL22471684 | 0.68 | — | — | |
| SCHEMBL5040145 | 0.68 | PRSS1 (0.38) | — | |
| SCHEMBL22482946 | 0.67 | PRSS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020193649-A1 | NEW THERAPEUTIC APPLICATION OF 1,2-DIOXOLANE-3,5-DISUBSTITUTED COMPOUNDS, AND METHOD FOR THE PRODUCTION THEREOF | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |
| WO-2020193650-A1 | PROCESS FOR PREPARING 1,2-ENDOPEROXIDE COMPOUNDS | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |