⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29239013 | 1.00 | — | — | |
| SCHEMBL29239039 | 0.87 | — | — | |
| SCHEMBL5327447 | 0.87 | — | — | |
| SCHEMBL4391743 | 0.87 | — | — | |
| SCHEMBL31436215 | 0.75 | — | — | |
| Water SCHEMBL20959670 | 0.75 | — | — | |
| SCHEMBL27913395 | 0.75 | — | — | |
| SCHEMBL17314992 | 0.75 | — | — | |
| SCHEMBL31436220 | 0.75 | — | — | |
| SCHEMBL28127758 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118028678-A | Rare earth zirconium hafnium alloy material and preparation method and application thereof | 韩伴祥 | 2024-05-14 | — | — | CN | disclosed |