⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6698213 | 1.00 | — | — | |
| SCHEMBL6699382 | 0.78 | AKR1C4 (0.33) | — | |
| SCHEMBL6687489 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL22802151 | 0.68 | TSHR (0.43) | — | |
| SCHEMBL5436325 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL28264157 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL195519 | 0.63 | AKR1C3 (0.42) | — | |
| SCHEMBL6687486 | 0.61 | AKR1C3 (0.37) | — | |
| SCHEMBL6688851 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL28218518 | 0.60 | AKR1C3 (0.58) | — |
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-2004094517-A1 | FLAME RETARDED STYRENIC POLYMER FOAMS | ALBEMARLE CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |
| US-20040209967-A1 | FLAME RETARDED STYRENIC POLYMER FOAMS | ALBEMARLE CORPORATION | 2004-10-21 | — | — | US | disclosed |