⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8081911 | 0.82 | — | — | |
| SCHEMBL285257 | 0.82 | — | — | |
| SCHEMBL464967 | 0.82 | — | — | |
| SCHEMBL157464 | 0.82 | — | — | |
| SCHEMBL5839733 | 0.82 | — | — | |
| SCHEMBL17891970 | 0.82 | — | — | |
| SCHEMBL28618407 | 0.82 | — | — | |
| SCHEMBL3202427 | 0.82 | — | — | |
| SCHEMBL5500850 | 0.67 | — | — | |
| SCHEMBL1900000 | 0.67 | — | — |
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-109434117-B | Preparation method of spherical zirconium-niobium alloy powder for 3D printing | 中国航天空气动力技术研究院 | 2021-12-07 | — | — | CN | disclosed |