⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1415320 | 0.78 | ESR1 (0.38) | — | |
| SCHEMBL1480750 | 0.77 | — | — | |
| SCHEMBL2058608 | 0.77 | ESR1 (0.46) | — | |
| SCHEMBL21459 | 0.77 | — | — | |
| SCHEMBL28232445 | 0.74 | TYR (0.39) | — | |
| SCHEMBL27374847 | 0.74 | TYR (0.39) | — | |
| SCHEMBL27717161 | 0.74 | TYR (0.39) | — | |
| SCHEMBL27258896 | 0.74 | TYR (0.34) | — | |
| SCHEMBL16426500 | 0.72 | — | — | |
| SCHEMBL9697406 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1648886-B1 | BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2009-12-09 | — | — | EP | claimed |
| CN-104220447-B | Silicon compound and its manufacture method and its application | 东洋橡胶工业株式会社 | 2017-09-01 | — | — | CN | disclosed |
| CN-105461904-B | A kind of new method that polymer is prepared based on carbon radicals coupling reaction | 浙江大学 | 2017-06-20 | — | — | CN | disclosed |
| US-9434794-B2 | Silicon compound and method for producing same, and use thereof | TOYO TIRE & RUBBER CO., LTD. (JP) | 2016-09-06 | — | — | US | disclosed |
| US-20150038643-A1 | SILICON COMPOUND AND METHOD FOR PRODUCING SAME, AND USE THEREOF | TOYO TIRE & RUBBER CO., LTD. (JP) | 2015-02-05 | — | — | US | disclosed |
| EP-0736509-B1 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL CO (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-6025531-A | REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-02-15 | — | — | US | disclosed |
| US-5801280-A | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-09-01 | — | — | US | disclosed |
| EP-0736509-A2 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-10-09 | — | — | EP | disclosed |