⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17868356 | 0.89 | — | — | |
| SCHEMBL28908246 | 0.80 | — | — | |
| SCHEMBL26134191 | 0.80 | — | — | |
| SCHEMBL28908242 | 0.80 | — | — | |
| SCHEMBL30005963 | 0.80 | — | — | |
| SCHEMBL43778 | 0.78 | — | — | |
| Thiourea SCHEMBL27913575 | 0.68 | — | — | |
| Thiourea SCHEMBL5590390 | 0.68 | — | — | |
| SCHEMBL25268738 | 0.67 | — | — | |
| SCHEMBL16291230 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108728900-B | Nonlinear optical crystal silver gallium phosphorus sulfide and preparation and application thereof | 中国科学院福建物质结构研究所 | 2020-05-05 | — | — | CN | disclosed |
| CN-108728900-B | Nonlinear optical crystal silver gallium phosphorus sulfide and preparation and application thereof | 中国科学院福建物质结构研究所 | 2020-05-05 | — | — | CN | disclosed |