⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18718 | 0.97 | — | — | |
| SCHEMBL5990223 | 0.97 | — | — | |
| SCHEMBL5990222 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29959664 | 0.94 | — | — | |
| SCHEMBL27947501 | 0.94 | — | — | |
| Butane SCHEMBL23576130 | 0.91 | THRB (0.50) | — | |
| SCHEMBL8607637 | 0.91 | THRB (0.50) | — | |
| Methylamine SCHEMBL27396002 | 0.91 | THRB (0.50) | — | |
| SCHEMBL812570 | 0.88 | THRB (0.48) | — | |
| SCHEMBL22527415 | 0.88 | THRB (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112742410-B | Composite carrier inorganic membrane catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-08-12 | — | — | CN | claimed |
| CN-110296973-B | SiO2@ Ag @ ZrO2 multilayer core-shell structure nano material and preparation method and application thereof | 中国计量大学 | 2021-11-19 | — | — | CN | claimed |
| CN-110296973-B | SiO2@ Ag @ ZrO2 multilayer core-shell structure nano material and preparation method and application thereof | 中国计量大学 | 2021-11-19 | — | — | CN | disclosed |