⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1679594 | 0.88 | PIM1 (0.35) | — | |
| SCHEMBL1679119 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL1679563 | 0.69 | PIM1 (0.34) | — | |
| SCHEMBL1678583 | 0.69 | MAOB (0.34) | — | |
| SCHEMBL1679141 | 0.69 | PIM1 (0.37) | — | |
| SCHEMBL27694526 | 0.68 | PIM1 (0.36) | — | |
| SCHEMBL27694512 | 0.68 | PIM1 (0.36) | — | |
| SCHEMBL5065630 | 0.67 | APP (0.35) | — | |
| SCHEMBL12772148 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL1679396 | 0.65 | PIM1 (0.41) | — |
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-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20080004301-A1 | Benzene Compound Having 2 or More Substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-01-03 | — | — | US | disclosed |
| EP-1806332-A1 | BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS | Daiichi Sankyo Company, Limited (JP) | 2007-07-11 | — | — | EP | disclosed |