⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL568005 | 0.78 | PTPN1 (0.34) | — | |
| SCHEMBL949152 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18769698 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL566225 | 0.74 | APEX1 (0.41) | — | |
| SCHEMBL9303109 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL10022876 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL15178970 | 0.72 | — | — | |
| SCHEMBL5498001 | 0.71 | FAAH (0.32) | — | |
| SCHEMBL566161 | 0.71 | — | — | |
| SCHEMBL10022885 | 0.71 | CYP1A2 (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120035341-A1 | PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS | MINASOLVE (FR) | 2012-02-09 | — | — | US | disclosed |
| US-20120035341-A1 | PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS | MINASOLVE (FR) | 2012-02-09 | — | — | US | disclosed |
| WO-2010100390-A1 | CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS | MINASOLVE (FR) | 2010-09-10 | — | — | WO | disclosed |