⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6256727 | 1.00 | — | — | |
| SCHEMBL4657247 | 0.98 | — | — | |
| SCHEMBL3679882 | 0.98 | — | — | |
| SCHEMBL4720005 | 0.98 | — | — | |
| SCHEMBL11661305 | 0.85 | — | — | |
| SCHEMBL11661308 | 0.85 | — | — | |
| SCHEMBL3683156 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL3677954 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL3677956 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL1515618 | 0.72 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1199297-B1 | Method of continuously producing a cyclododecanone compound | UBE INDUSTRIES (JP) | 2005-06-01 | — | — | EP | claimed |
| EP-1018498-B1 | Method of hydrogenating unsaturated epoxidized C6 -C12 cyclohydrocarbon compounds | UBE INDUSTRIES (JP) | 2003-09-10 | — | — | EP | claimed |