⚠ 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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL2308215 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL27454352 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL3987542 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL1330604 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL1332452 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL27395806 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL1331299 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL7458207 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL11223212 | 0.97 | TP53 (1.00) | — | |
| Ethylbenzene SCHEMBL29 | 0.97 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112771626-B | Solid electrolyte composition and method for producing solid electrolyte member | 松下知识产权经营株式会社 | 2024-05-10 | — | — | CN | disclosed |
| CN-112771626-A | Solid electrolyte composition and method for producing solid electrolyte member | 松下知识产权经营株式会社 | 2021-05-07 | — | — | CN | disclosed |
| EP-2553109-B1 | REGIOSELECTIVE HYDROXYLATION OF ALIPHATIC HYDROCARBONS EMPLOYING A FUNGAL PEROXYGENASE | NOVOZYMES AS (DK) | 2018-10-24 | — | — | EP | disclosed |
| CN-104558671-B | Foaminess composite resin particles | 株式会社JSP | 2018-06-29 | — | — | CN | disclosed |
| CN-104888848-A | C8 aromatic isomerization catalyst and its synthesis method and use | REFINING AND CHEMICAL COMPANY OF SHAANXI YANCHANG PETROLEUM GROUP CO LTD | 2015-09-09 | — | — | CN | disclosed |
| CN-103157427-B | Design method of automatic control system for vapor-liquid series reaction rectification process | NANJING UNIVERSITY OF TECHNOLOGY | 2014-11-19 | — | — | CN | disclosed |
| CN-103157427-A | Design method of automatic control system for vapor-liquid series reaction rectification process | NANJING UNIVERSITY OF TECHNOLOGY | 2013-06-19 | — | — | CN | disclosed |
| CN-201276506-Y | Catalytic reaction dehydrogenation reactor for aromatic satisfied hydrocarbon | ZHIGANG XU (CN) | 2009-07-22 | — | — | CN | disclosed |
| WO-2003076092-A1 | IN SITU MICROBIAL STABILIZATION OF METALS USING PHOSPHATE AMENDED BIOVENTING/BIOSPARGING | WESTINGHOUSE SAVANNAH RIVER COMPANY, LLC (US) | 2003-09-18 | — | — | WO | disclosed |