⚠ 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 | |
|---|---|---|---|---|
| Arsenic SCHEMBL28210445 | 0.84 | — | — | |
| SCHEMBL27623379 | 0.84 | — | — | |
| SCHEMBL28013978 | 0.77 | — | — | |
| SCHEMBL28453754 | 0.77 | — | — | |
| SCHEMBL11230852 | 0.77 | — | — | |
| SCHEMBL28141548 | 0.76 | — | — | |
| SCHEMBL27490165 | 0.76 | — | — | |
| Arsenic SCHEMBL27974804 | 0.76 | — | — | |
| SCHEMBL9469869 | 0.76 | — | — | |
| Arsenic SCHEMBL28071695 | 0.76 | — | — |
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-115414913-A | Biochar prepared from passion fruit peel and preparation method thereof | 中国热带农业科学院分析测试中心 | 2022-12-02 | — | — | CN | disclosed |