⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4966088 | 1.00 | — | — | |
| Methane SCHEMBL11184882 | 0.98 | — | — | |
| SCHEMBL13251666 | 0.82 | — | — | |
| SCHEMBL8780065 | 0.81 | — | — | |
| SCHEMBL10628997 | 0.81 | — | — | |
| SCHEMBL6445039 | 0.78 | — | — | |
| SCHEMBL11302000 | 0.78 | — | — | |
| SCHEMBL11428211 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL10086842 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL10626114 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694641-B1 | PROSTAGLANDIN SYNTHESIS | JOHNSON MATTHEY PLC (GB) | 2009-04-15 | — | — | EP | disclosed |
| US-7161042-B2 | Protected diols for prostaglandin synthesis | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2007-01-09 | — | — | US | disclosed |
| US-7161042-B2 | Protected diols for prostaglandin synthesis | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2007-01-09 | — | — | US | disclosed |
| US-5925676-A | INSECICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-07-20 | — | — | US | disclosed |
| EP-0829467-A1 | Novel ester compounds, pesticidal compositions containing the same and intermediates for synthesis thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-03-18 | — | — | EP | disclosed |