⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30992162 | 0.93 | SLC6A3 (0.34) | — | |
| SCHEMBL27504488 | 0.81 | — | — | |
| SCHEMBL24465541 | 0.76 | — | — | |
| SCHEMBL5831278 | 0.76 | CA1 (0.34) | — | |
| SCHEMBL25973802 | 0.74 | SLC6A4 (0.34) | — | |
| SCHEMBL24129062 | 0.74 | SLC6A4 (0.34) | — | |
| SCHEMBL24483580 | 0.74 | SLC6A4 (0.34) | — | |
| SCHEMBL11552666 | 0.74 | — | — | |
| SCHEMBL5831504 | 0.73 | — | — | |
| SCHEMBL9155271 | 0.70 | GAA (0.31) | — |
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 4 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 |
| WO-2003066559-A1 | PROCESS FOR PRODUCTION OF ALDEHYDES AND KETONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-08-14 | — | — | WO | disclosed |