⚠ 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 | |
|---|---|---|---|---|
| Cyclopentene SCHEMBL27443903 | 0.94 | ALDH1A1 (0.32) | — | |
| Cyclopentene SCHEMBL9112 | 0.94 | — | — | |
| SCHEMBL1144075 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL1112355 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL1144071 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL28705615 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL1112359 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL1112420 | 0.89 | — | — | |
| Cyclopentene SCHEMBL25327614 | 0.89 | — | — | |
| Cyclohexene SCHEMBL20578013 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085563-B | A kind of branch allyl compound, preparation method and application | 中国科学院上海有机化学研究所 | 2018-09-21 | — | — | CN | claimed |
| US-20210147598-A1 | FUNCTIONAL OLIGOMERS AND FUNCTIONAL POLYMERS INCLUDING HYDROXYLATED POLYMERS AND CONJUGATES THEREOF AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2021-05-20 | — | — | US | disclosed |
| WO-2021096591-A1 | FUNCTIONAL OLIGOMERS AND FUNCTIONAL POLYMERS INCLUDING HYDROXYLATED POLYMERS AND CONJUGATES THEREOF AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-05-20 | — | — | WO | disclosed |
| CN-105085563-B | A kind of branch allyl compound, preparation method and application | 中国科学院上海有机化学研究所 | 2018-09-21 | — | — | CN | disclosed |
| CN-101512397-B | Retardation film, and liquid crystal display device using the same | NIPPON OIL CORP | 2011-07-13 | — | — | CN | disclosed |
| CN-101512397-A | Retardation film, and liquid crystal display device using the same | NIPPON OIL CORP (JP) | 2009-08-19 | — | — | CN | disclosed |
| CN-1106838-A | Halogen-free blowing agents that include cycloaliphatic hydrocarbons and are suitable for isocyanate-based polymeric foams | NISSHIN SPINNING (JP) | 1995-08-16 | — | — | CN | disclosed |