⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29379549 | 0.71 | — | — | |
| SCHEMBL29355672 | 0.71 | — | — | |
| SCHEMBL29402449 | 0.71 | — | — | |
| SCHEMBL31099347 | 0.71 | — | — | |
| SCHEMBL30880059 | 0.71 | — | — | |
| SCHEMBL29402601 | 0.71 | — | — | |
| SCHEMBL29356863 | 0.71 | — | — | |
| SCHEMBL30290785 | 0.71 | — | — | |
| SCHEMBL30311184 | 0.71 | — | — | |
| Iodide SCHEMBL7219 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119649948-A | Ecological risk assessment method and system for soil heavy metal pollution | 华南农业大学 | 2025-03-18 | — | — | CN | disclosed |