⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9650100 | 0.74 | — | — | |
| SCHEMBL11823666 | 0.72 | — | — | |
| SCHEMBL11311545 | 0.69 | TP53 (0.36) | — | |
| SCHEMBL5704321 | 0.69 | CYP3A4 (0.45) | — | |
| SCHEMBL11587686 | 0.68 | TP53 (0.44) | — | |
| SCHEMBL31490403 | 0.66 | PGK1 (0.32) | — | |
| SCHEMBL27945251 | 0.66 | — | — | |
| SCHEMBL6057439 | 0.66 | — | — | |
| SCHEMBL10630456 | 0.64 | — | — | |
| SCHEMBL1490621 | 0.63 | TSHR (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1685176-A2 | FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES | ALBEMARLE CORPORATION (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005052018-A2 | FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES | ALBEMARLE CORPORATION (US) | 2005-06-09 | — | — | WO | disclosed |
| US-20050113495-A1 | Flame retardant, additive compositions, and flame retardant polyurethanes | ALBEMARLE CORPORATION | 2005-05-26 | — | — | US | disclosed |