⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1611272 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL1609655 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL1610479 | 0.82 | — | — | |
| SCHEMBL1609625 | 0.79 | — | — | |
| SCHEMBL1612728 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL1611807 | 0.70 | — | — | |
| SCHEMBL1611176 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL1610901 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL1609617 | 0.69 | — | — | |
| SCHEMBL1609699 | 0.68 | TSHR (0.38) | — |
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 |