⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14752984 | 0.80 | — | — | |
| SCHEMBL1704639 | 0.80 | — | — | |
| SCHEMBL20464016 | 0.77 | — | — | |
| SCHEMBL19137569 | 0.74 | — | — | |
| SCHEMBL13082808 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL23735869 | 0.74 | — | — | |
| SCHEMBL14600832 | 0.74 | — | — | |
| SCHEMBL13017488 | 0.74 | — | — | |
| SCHEMBL21558800 | 0.74 | — | — | |
| SCHEMBL23207477 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021214243-A1 | SULFUR EXTRUSION FROM DISULFIDES BY CARBENES | Universität Heidelberg (DE) | 2021-10-28 | — | — | WO | disclosed |
| US-9201168-B2 | Polymerizable inorganic-particle dispersant, inorganic-organic composite particles containing said polymerizable inorganic-particle dispersant, and inorganic-organic resin composite material | NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20140213725-A1 | POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, INORGANIC-ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, AND INORGANIC-ORGANIC RESIN COMPOSITE MATERIAL | NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) | 2014-07-31 | — | — | US | disclosed |
| US-20130131015-A1 | SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES | UNIV NORTH CAROLINA STATE (US) | 2013-05-23 | — | — | US | disclosed |
| US-8389732-B2 | Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives | NORTH CAROLINA STATE UNIVERSITY (US) | 2013-03-05 | — | — | US | disclosed |
| US-20100331323-A1 | SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES | COMINS DANIEL L | 2010-12-30 | — | — | US | disclosed |
| US-7820826-B2 | Synthesis and regioselective substitution of 6-halo-and 6-alkoxy nicotine derivatives | NORTH CAROLINA STATE UNIVERSITY (US) | 2010-10-26 | — | — | US | disclosed |
| US-20070232665-A1 | SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO-AND 6-ALKOXY NICOTINE DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY | 2007-10-04 | — | — | US | disclosed |