⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554537 | 0.82 | — | — | |
| SCHEMBL1087790 | 0.82 | — | — | |
| SCHEMBL7998359 | 0.82 | — | — | |
| SCHEMBL3239789 | 0.67 | — | — | |
| SCHEMBL758575 | 0.67 | — | — | |
| SCHEMBL11809798 | 0.67 | — | — | |
| SCHEMBL11804513 | 0.67 | — | — | |
| SCHEMBL9227929 | 0.67 | — | — | |
| SCHEMBL8470533 | 0.67 | — | — | |
| SCHEMBL3236559 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106365948-B | Method for preparing high-octane gasoline component and butadiene by mixing C4 | 中国石油天然气股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| CN-106365942-B | Mixed C4 conversion method | 中国石油天然气股份有限公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-106866336-B | Method for preparing gasoline component and butadiene | 中国石油天然气股份有限公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-106866337-B | Conversion and utilization process of mixed C4 | 中国石油天然气股份有限公司 | 2019-12-10 | — | — | CN | disclosed |
| CN-106866337-A | Conversion and utilization process of mixed C4 | 中国石油天然气股份有限公司 | 2017-06-20 | — | — | CN | disclosed |
| CN-106866336-A | Method for preparing gasoline component and butadiene | 中国石油天然气股份有限公司 | 2017-06-20 | — | — | CN | disclosed |
| US-4165441-A | CATALYTIC OXIDATIVE DEHYDROGENATION OF 4-VINYLCYCLOHEXENE WITH OXIDES OF TIN AND ANTIMONY | MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) | 1979-08-21 | — | — | US | disclosed |