⚠ 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 | |
|---|---|---|---|---|
| Barium SCHEMBL29896018 | 0.82 | — | — | |
| Barium SCHEMBL29350236 | 0.82 | — | — | |
| SCHEMBL31031789 | 0.82 | — | — | |
| SCHEMBL235909 | 0.82 | — | — | |
| Barium SCHEMBL30080811 | 0.82 | — | — | |
| SCHEMBL3229533 | 0.67 | — | — | |
| SCHEMBL5391291 | 0.67 | — | — | |
| Barium SCHEMBL31746149 | 0.67 | — | — | |
| Barium SCHEMBL31096827 | 0.67 | — | — | |
| SCHEMBL31489837 | 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-117185341-A | Alkaline earth metal thiogermanate and alkaline earth metal thiogermanate infrared nonlinear optical crystal, and preparation method and application thereof | 中国科学院新疆理化技术研究所 | 2023-12-08 | — | — | CN | disclosed |