⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21699 | 0.96 | — | — | |
| Hexane SCHEMBL28090484 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL29221834 | 0.80 | — | — | |
| SCHEMBL6564532 | 0.80 | — | — | |
| SCHEMBL150828 | 0.74 | — | — | |
| SCHEMBL10403680 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL22284080 | 0.69 | — | — | |
| SCHEMBL20604506 | 0.69 | — | — | |
| SCHEMBL4659460 | 0.67 | — | — | |
| SCHEMBL9408998 | 0.67 | TSHR (0.30) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896819-B | Ketone compound modified polybutadiene rubber, preparation method thereof and vulcanized rubber | 中国科学院长春应用化学研究所 | 2022-10-28 | — | — | CN | disclosed |
| CN-114907509-A | Alpha-olefin-cycloolefin copolymer and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114634587-A | Method for continuously producing ultra-high molecular weight polyethylene by slurry polymerization | 中国石油化工股份有限公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-114621379-A | Ethylene polymer and process for producing the same | 中国石油化工股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114621372-A | Ultra-high molecular weight ethylene homopolymer and preparation method thereof | 中国石油化工股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114524893-A | Ethylene polymer and process for producing the same | 中国石油化工股份有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-114507310-A | Ultra-high molecular weight ethylene copolymer and preparation method thereof | 中国石油化工股份有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-114507311-A | Ethylene polymer and process for producing the same | 中国石油化工股份有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-109593152-B | Copolymerization method of ethylene-cycloolefin | 中国石化扬子石油化工有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-105884941-B | Non-metallocene catalyst, preparation method and application thereof | 中国石油化工股份有限公司 | 2019-12-10 | — | — | CN | disclosed |