⚠ 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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL4346718 | 0.96 | — | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.96 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.96 | ALOX5 (1.00) | — | |
| Diallyl Sulfide SCHEMBL5175822 | 0.92 | — | — | |
| Diallyl Sulfide SCHEMBL8673373 | 0.92 | ALOX5 (0.92) | — | |
| Diallyl Sulfide SCHEMBL7573176 | 0.92 | — | — | |
| Diallyl Sulfide SCHEMBL7130288 | 0.92 | — | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.92 | — | — | |
| Diallyl Sulfide SCHEMBL9280151 | 0.92 | — | — | |
| Diallyl Sulfide SCHEMBL21385126 | 0.92 | ALOX5 (0.92) | — |
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-105315012-B | Decorative layer is manufactured on ceramic surface | 贺利氏德国有限责任两合公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-105315012-A | Production of a decorative layer on ceramic surfaces | HERAEUS DEUTSCHLAND GMBH AND CO KG | 2016-02-10 | — | — | CN | disclosed |