⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL741484 | 0.82 | — | — | |
| SCHEMBL2021482 | 0.81 | PDE4A (0.32) | — | |
| SCHEMBL741874 | 0.79 | HRH1 (0.37) | — | |
| SCHEMBL31052366 | 0.79 | GRM5 (0.35) | — | |
| SCHEMBL2331971 | 0.79 | GRM5 (0.35) | — | |
| SCHEMBL13018528 | 0.79 | FGFR3 (0.32) | — | |
| SCHEMBL13063486 | 0.76 | MYC (0.35) | — | |
| SCHEMBL741304 | 0.70 | MMP1 (0.31) | — | |
| SCHEMBL13813278 | 0.70 | MYC (0.33) | — | |
| SCHEMBL8121552 | 0.70 | PDE4A (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 |