⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL889472 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL32690762 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL9775422 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL5925246 | 0.64 | — | — | |
| SCHEMBL7147605 | 0.62 | — | — | |
| SCHEMBL17353591 | 0.60 | — | — | |
| SCHEMBL105887 | 0.59 | — | — | |
| SCHEMBL22115 | 0.59 | — | — | |
| SCHEMBL1647240 | 0.59 | — | — | |
| SCHEMBL4572698 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8618320-B2 | Lewis acid catalyzed halogenation of activated carbon atoms | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-12-31 | — | — | US | disclosed |
| EP-1928599-B1 | LEWIS ACID CATALYZED HALOGENATION OF ACTIVATED CARBON ATOMS | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-10-03 | — | — | EP | disclosed |
| US-20120157691-A1 | Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120157691-A1 | Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-06-21 | — | — | US | disclosed |
| EP-1928599-A4 | LEWIS ACID CATALYZED HALOGENATION OF ACTIVATED CARBON ATOMS | UNIV CHICAGO (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20080275253-A1 | halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2008-11-06 | — | — | US | disclosed |
| US-20080275253-A1 | halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2008-11-06 | — | — | US | disclosed |
| EP-1928599-A2 | LEWIS ACID CATALYZED HALOGENATION OF ACTIVATED CARBON ATOMS | University of Chicago (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007027917-A2 | LEWIS ACID CATALYZED HALOGENATION OF ACTIVATED CARBON ATOMS | UNIVERSITY OF CHICAGO (US) | 2007-03-08 | — | — | WO | disclosed |