⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1130189 | 0.83 | CA1 (0.30) | — | |
| SCHEMBL2431555 | 0.76 | — | — | |
| SCHEMBL1130766 | 0.72 | — | — | |
| SCHEMBL2431968 | 0.69 | — | — | |
| SCHEMBL1130266 | 0.67 | CA12 (0.31) | — | |
| SCHEMBL2431570 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL2138980 | 0.66 | MMP2 (0.37) | — | |
| SCHEMBL1129973 | 0.66 | CA14 (0.31) | — | |
| SCHEMBL1130298 | 0.65 | GCLC (0.31) | — | |
| SCHEMBL2136793 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2160378-A1 | ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD | Sumitomo Chemical Company, Limited (JP) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008143332-A1 | ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-11-27 | — | — | WO | disclosed |