⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7251 | 0.93 | — | — | |
| SCHEMBL8671290 | 0.86 | — | — | |
| Phosphine SCHEMBL8858863 | 0.86 | — | — | |
| SCHEMBL115395 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL874779 | 0.86 | — | — | |
| SCHEMBL7859981 | 0.77 | — | — | |
| SCHEMBL763851 | 0.77 | — | — | |
| SCHEMBL85676 | 0.77 | — | — | |
| SCHEMBL10049938 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL2539644 | 0.71 | — | — |
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-110713631-A | High-weather-resistance solvent-resistant rubber-plastic composite material and preparation method and application thereof | 宁波泰意德过滤技术有限公司 | 2020-01-21 | — | — | CN | claimed |
| CN-114956951-A | Method for constructing fluorine-containing tertiary carbon center | 中国科学院上海有机化学研究所 | 2022-08-30 | — | — | CN | disclosed |
| CN-110713631-A | High-weather-resistance solvent-resistant rubber-plastic composite material and preparation method and application thereof | 宁波泰意德过滤技术有限公司 | 2020-01-21 | — | — | CN | disclosed |