⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13865255 | 0.80 | — | — | |
| SCHEMBL12316042 | 0.72 | — | — | |
| SCHEMBL445145 | 0.69 | — | — | |
| SCHEMBL9926862 | 0.69 | — | — | |
| SCHEMBL15299956 | 0.69 | NAAA (0.46) | — | |
| SCHEMBL7937435 | 0.67 | — | — | |
| SCHEMBL17928383 | 0.67 | — | — | |
| SCHEMBL13715299 | 0.67 | — | — | |
| SCHEMBL6305092 | 0.66 | — | — | |
| SCHEMBL39209 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7531664-B2 | Flame retarding compounds | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2009-05-12 | — | — | US | disclosed |