⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9499488 | 0.87 | — | — | |
| SCHEMBL952924 | 0.87 | — | — | |
| SCHEMBL28085311 | 0.87 | — | — | |
| SCHEMBL492455 | 0.87 | — | — | |
| SCHEMBL3030558 | 0.82 | — | — | |
| SCHEMBL7140304 | 0.75 | — | — | |
| SCHEMBL28758337 | 0.75 | — | — | |
| SCHEMBL11782141 | 0.75 | — | — | |
| SCHEMBL28918981 | 0.75 | — | — | |
| Methane SCHEMBL28895277 | 0.75 | — | — |
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-105695775-B | A kind of yttrium iron base alloy material, preparation method and application | 华南理工大学 | 2017-06-20 | — | — | CN | disclosed |
| CN-105695775-A | Preparation method and application for yttrium-iron-based alloy material | 华南理工大学 | 2016-06-22 | — | — | CN | disclosed |