⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65397 | 0.97 | — | — | |
| SCHEMBL27450473 | 0.97 | NOS3 (0.56) | — | |
| SCHEMBL29365135 | 0.97 | — | — | |
| Water SCHEMBL28348192 | 0.94 | — | — | |
| Iodide SCHEMBL22769804 | 0.94 | — | — | |
| SCHEMBL29125156 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10732155 | 0.94 | NOS3 (0.54) | — | |
| Fluoride SCHEMBL2024550 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL164743 | 0.94 | — | — | |
| SCHEMBL29205865 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118239585-A | Method for oxidizing and degrading organic phosphate in water by manganese mineral | 中国科学院南京土壤研究所 | 2024-06-25 | — | — | CN | disclosed |
| CN-118001419-A | Self-assembled nano-particle and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-05-10 | — | — | CN | disclosed |