⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1610951 | 0.76 | — | — | |
| SCHEMBL3103212 | 0.72 | — | — | |
| SCHEMBL1612139 | 0.65 | — | — | |
| SCHEMBL1609788 | 0.64 | — | — | |
| SCHEMBL8330118 | 0.63 | — | — | |
| SCHEMBL1610568 | 0.60 | CHRNA7 (0.41) | — | |
| SCHEMBL12107896 | 0.58 | — | — | |
| SCHEMBL11256625 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL1707047 | 0.58 | — | — | |
| SCHEMBL10585211 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |
| EP-2248818-A1 | ORGANIC SEMICONDUCTOR MATERIAL | Sumitomo Chemical Company, Limited (JP) | 2010-11-10 | — | — | EP | disclosed |