⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30569675 | 1.00 | — | — | |
| SCHEMBL11048189 | 0.95 | — | — | |
| SCHEMBL9113187 | 0.86 | — | — | |
| SCHEMBL6476782 | 0.86 | TSHR (0.40) | — | |
| SCHEMBL5693921 | 0.86 | TSHR (0.40) | — | |
| SCHEMBL7096585 | 0.86 | TSHR (0.40) | — | |
| SCHEMBL16969980 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL20267799 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL616562 | 0.83 | — | — | |
| SCHEMBL289199 | 0.83 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-120721880-A | Method for detecting hexachlorodecane content in water body or sediment | 中国海洋大学 | 2025-09-30 | — | — | CN | disclosed |
| CN-120721880-A | Method for detecting hexachlorodecane content in water body or sediment | 中国海洋大学 | 2025-09-30 | — | — | CN | disclosed |
| CN-117990854-A | Method for detecting content of short-chain chlorinated paraffin and medium-chain chlorinated paraffin in blood | 山东省分析测试中心 | 2024-05-07 | — | — | CN | disclosed |