⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229811 | 0.76 | — | — | |
| SCHEMBL11805131 | 0.68 | — | — | |
| SCHEMBL14410331 | 0.68 | — | — | |
| SCHEMBL5244917 | 0.68 | — | — | |
| SCHEMBL8562011 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL9715081 | 0.65 | ALDH1A1 (0.33) | — | |
| Homoserine Lactone SCHEMBL79968 | 0.65 | — | — | |
| Homoserine Lactone SCHEMBL79969 | 0.65 | — | — | |
| SCHEMBL7482107 | 0.65 | — | — | |
| SCHEMBL731550 | 0.65 | TSHR (0.32) | — |
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-0412124-A1 | NEW DIOXANE DERIVATIVES CAPABLE OF BEING OPTICALLY ACTIVE, PROCESS FOR THEIR PREPARATION, AND APPLICATIONS | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1991-02-13 | — | — | EP | disclosed |
| WO-1989012635-A1 | NEW DIOXANE DERIVATIVES CAPABLE OF BEING OPTICALLY ACTIVE, PROCESS FOR THEIR PREPARATION, AND APPLICATIONS | SOCIETE NATIONALE ELF AQUITAINE (FR) | 1989-12-28 | — | — | WO | disclosed |