⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783720 | 1.00 | — | — | |
| SCHEMBL7067074 | 1.00 | — | — | |
| SCHEMBL12611624 | 1.00 | — | — | |
| SCHEMBL7067198 | 1.00 | — | — | |
| SCHEMBL7067192 | 1.00 | — | — | |
| SCHEMBL24052015 | 0.98 | — | — | |
| SCHEMBL7939234 | 0.98 | — | — | |
| SCHEMBL8768709 | 0.91 | — | — | |
| SCHEMBL28464285 | 0.88 | — | — | |
| SCHEMBL11774751 | 0.78 | — | — |
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-1316551-A1 | PROCESS FOR PREPARING EPOXY COMPOUNDS, AROMATIC COMPOSITIONS CONTAINING THE COMPOUNDS, AND DRINKS, PERFUMES, COSMETICS, CIGARETTES, AND TOBACCOS CONTAINING THE COMPOSITIONS | SODA AROMATIC COMPANY, LIMITED (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-6525207-B1 | Reacting a-halocyclododecane with Grignard reagent; epoxidation, hydrolysis; reaction of base and halohydrin in presence of phase transfer catalyst; perfumes, foods, beverages, cosmetics, tobacco | SODA AROMATIC CO., LTD. (JP) | 2003-02-25 | — | — | US | disclosed |