⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL741305 | 0.86 | — | — | |
| SCHEMBL741484 | 0.83 | — | — | |
| SCHEMBL741874 | 0.78 | HRH1 (0.37) | — | |
| SCHEMBL18614576 | 0.75 | — | — | |
| SCHEMBL5565564 | 0.72 | — | — | |
| SCHEMBL4957807 | 0.68 | HRH1 (0.47) | — | |
| SCHEMBL5564382 | 0.67 | — | — | |
| SCHEMBL2027168 | 0.67 | LOXL2 (0.41) | — | |
| SCHEMBL5605276 | 0.65 | — | — | |
| SCHEMBL1171892 | 0.65 | PREP (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765739-B2 | Azetidine compound and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2014-07-01 | — | — | US | disclosed |
| EP-2431365-A1 | AZETIDINE COMPOUND AND MEDICINAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-20100331301-A1 | AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2010-12-30 | — | — | US | disclosed |