⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20999159 | 0.81 | AKT1 (0.36) | — | |
| SCHEMBL6128467 | 0.79 | AKT1 (0.31) | — | |
| SCHEMBL21574102 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL23137905 | 0.73 | — | — | |
| SCHEMBL24443272 | 0.72 | — | — | |
| SCHEMBL18868913 | 0.71 | CES2 (0.37) | — | |
| SCHEMBL20077791 | 0.70 | DEGS1 (0.41) | — | |
| SCHEMBL20470769 | 0.69 | AKT1 (0.46) | — | |
| SCHEMBL18868783 | 0.69 | AKT1 (0.46) | — | |
| SCHEMBL22649497 | 0.68 | CES2 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012053627-A1 | ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2012-04-26 | — | — | WO | disclosed |