⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21863818 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL873126 | 0.87 | CYP11B1 (0.31) | — | |
| SCHEMBL16877709 | 0.87 | CYP11B1 (0.31) | — | |
| SCHEMBL4437953 | 0.87 | CYP11B1 (0.31) | — | |
| SCHEMBL5641872 | 0.84 | — | — | |
| SCHEMBL1865215 | 0.84 | — | — | |
| SCHEMBL25454266 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL16877662 | 0.78 | — | — | |
| SCHEMBL16689078 | 0.78 | — | — | |
| SCHEMBL15568858 | 0.76 | CYP11B1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43858-E1 | Substituted cycloalkene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| US-7935835-B2 | Substituted cycloalkene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20090233952-A1 | SUBSTITUTED CYCLOALKENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1935879-A1 | SUBSTITUTED CYCLOALKENE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2008-06-25 | — | — | EP | disclosed |