⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30091 | 0.94 | — | — | |
| SCHEMBL11406677 | 0.94 | ALDH1A1 (0.40) | — | |
| Phosphine SCHEMBL28673109 | 0.89 | — | — | |
| SCHEMBL29278285 | 0.89 | — | — | |
| Iodide SCHEMBL329903 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL496907 | 0.89 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL15210 | 0.89 | — | — | |
| Fluoride SCHEMBL29185213 | 0.89 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL151218 | 0.89 | — | — | |
| SCHEMBL29278287 | 0.89 | — | — |
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-109535290-A | It is suitble to the catalyst and its preparation method and application of production ultra-fine grain diameter polyolefin | 上海化工研究院有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-109438593-A | A kind of production extrahigh-molecular weight polyolefins catalyst and its preparation method and application | 上海化工研究院有限公司 | 2019-03-08 | — | — | CN | disclosed |