⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL27689797 | 0.88 | — | — | |
| SCHEMBL29155976 | 0.83 | — | — | |
| SCHEMBL29156044 | 0.83 | — | — | |
| SCHEMBL207810 | 0.83 | — | — | |
| SCHEMBL20840027 | 0.83 | TSHR (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL1451901 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL1230332 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28474833 | 0.79 | — | — | |
| Water SCHEMBL9139757 | 0.79 | — | — | |
| Glycerin SCHEMBL6901195 | 0.76 | LMNA (0.43) | — |
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-109679289-B | Preparation method of high-toughness wear-resistant epoxy resin composite material and composite material | 华东理工大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-109679289-A | A kind of preparation method and composite material of high-toughness wear-resistant epoxy resin composite material | 华东理工大学 | 2019-04-26 | — | — | CN | disclosed |