⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11150650 | 0.80 | CA1 (0.47) | — | |
| SCHEMBL2268562 | 0.79 | — | — | |
| SCHEMBL202567 | 0.78 | CA1 (0.45) | — | |
| SCHEMBL19951506 | 0.75 | CA1 (0.43) | — | |
| SCHEMBL811510 | 0.75 | CA1 (0.43) | — | |
| SCHEMBL6305964 | 0.73 | — | — | |
| SCHEMBL18973986 | 0.73 | — | — | |
| SCHEMBL19648 | 0.73 | — | — | |
| SCHEMBL12516048 | 0.73 | — | — | |
| SCHEMBL18973924 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132092-B2 | Metallized mesoporous silicate and method of oxidation with the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-11-07 | — | — | US | disclosed |
| US-20050090688-A1 | Metallized mesoporous silicate and method of oxidation with the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1473275-A1 | METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME | Sumitomo Chemical Company, Limited (JP) | 2004-11-03 | — | — | EP | disclosed |