⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4766425 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL14645568 | 0.85 | — | — | |
| SCHEMBL28604726 | 0.77 | CYP2C19 (0.39) | — | |
| SCHEMBL2796676 | 0.75 | — | — | |
| SCHEMBL290165 | 0.72 | — | — | |
| SCHEMBL14947072 | 0.72 | — | — | |
| SCHEMBL11241118 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL9495823 | 0.70 | CES2 (0.48) | — | |
| SCHEMBL7454777 | 0.69 | — | — | |
| SCHEMBL1866148 | 0.69 | CHRNB2 (0.42) | — |
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 |