⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4950820 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL5606390 | 1.00 | — | — | |
| SCHEMBL4901795 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL10862 | 1.00 | — | — | |
| SCHEMBL2430668 | 1.00 | TSHR (0.50) | — | |
| Hydrogen Sulfide SCHEMBL6569480 | 0.95 | — | — | |
| SCHEMBL7943710 | 0.95 | — | — | |
| Ethylene SCHEMBL76814 | 0.95 | — | — | |
| SCHEMBL11303058 | 0.95 | — | — | |
| Iodide SCHEMBL8019411 | 0.95 | — | — |
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-20090306368-A1 | POLYNUCLEAR COMPLEX | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| EP-2093227-A1 | POLYNUCLEAR COMPLEX | Sumitomo Chemical Company, Limited (JP) | 2009-08-26 | — | — | EP | disclosed |