⚠ 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 | 0.75 | — | — | |
| SCHEMBL1704639 | 0.75 | — | — | |
| SCHEMBL13017486 | 0.74 | — | — | |
| SCHEMBL15976282 | 0.72 | — | — | |
| SCHEMBL23735869 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL5183336 | 0.69 | — | — | |
| SCHEMBL22674260 | 0.67 | — | — | |
| SCHEMBL22882416 | 0.67 | — | — | |
| SCHEMBL19848734 | 0.67 | — | — | |
| SCHEMBL22863260 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |