⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28016013 | 0.89 | — | — | |
| SCHEMBL28701862 | 0.80 | — | — | |
| SCHEMBL29239519 | 0.80 | — | — | |
| SCHEMBL9323290 | 0.80 | — | — | |
| SCHEMBL1026688 | 0.80 | — | — | |
| SCHEMBL11439514 | 0.78 | — | — | |
| SCHEMBL104495 | 0.78 | — | — | |
| SCHEMBL28278767 | 0.78 | — | — | |
| SCHEMBL9407114 | 0.78 | — | — | |
| SCHEMBL28311054 | 0.78 | — | — |
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-114082934-B | Multi-component high-density calorific value aluminum-zirconium alloy powder and preparation method and device thereof | 北京理工大学 | 2023-03-17 | — | — | CN | disclosed |
| CN-114082934-A | Multi-component high-density calorific value aluminum-zirconium alloy powder and preparation method and device thereof | 北京理工大学 | 2022-02-25 | — | — | CN | disclosed |