⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1610907 | 0.95 | PDE5A (0.31) | — | |
| SCHEMBL1611994 | 0.90 | — | — | |
| SCHEMBL1611281 | 0.85 | — | — | |
| SCHEMBL1610449 | 0.83 | — | — | |
| SCHEMBL1612672 | 0.81 | CRHR1 (0.31) | — | |
| SCHEMBL1612811 | 0.81 | PDE5A (0.34) | — | |
| SCHEMBL1611255 | 0.81 | — | — | |
| SCHEMBL1611265 | 0.81 | PDE5A (0.32) | — | |
| SCHEMBL1610782 | 0.78 | — | — | |
| SCHEMBL1611396 | 0.78 | ADRB2 (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 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 |