⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL934987 | 0.78 | — | — | |
| SCHEMBL1072967 | 0.72 | — | — | |
| SCHEMBL671120 | 0.69 | — | — | |
| SCHEMBL9864913 | 0.69 | — | — | |
| SCHEMBL8327235 | 0.67 | — | — | |
| SCHEMBL7106860 | 0.67 | — | — | |
| SCHEMBL9602948 | 0.67 | — | — | |
| SCHEMBL9602946 | 0.67 | — | — | |
| SCHEMBL380996 | 0.67 | — | — | |
| SCHEMBL2370458 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114196004-A | Ternary dual-graft copolymer and preparation method and application thereof | 北京化工大学 | 2022-03-18 | — | — | CN | claimed |
| CN-114196004-B | Ternary dual-graft copolymer and preparation method and application thereof | 北京化工大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-110452323-B | Butyl rubber and preparation method thereof | 黄河三角洲京博化工研究院有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-114196004-A | Ternary dual-graft copolymer and preparation method and application thereof | 北京化工大学 | 2022-03-18 | — | — | CN | disclosed |