⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6238600 | 0.67 | — | — | |
| SCHEMBL17706768 | 0.65 | TSHR (0.59) | — | |
| SCHEMBL24013 | 0.63 | — | — | |
| SCHEMBL17688343 | 0.63 | — | — | |
| SCHEMBL80405 | 0.63 | — | — | |
| SCHEMBL25407819 | 0.63 | — | — | |
| SCHEMBL17688345 | 0.63 | — | — | |
| SCHEMBL17688346 | 0.63 | — | — | |
| SCHEMBL21351608 | 0.63 | — | — | |
| SCHEMBL1144188 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043383-A | EPOXIDIZING 1,5,9-CYCLODODECATRIENE IN A CONTINUOUS MULTI-STAGE OXIDATION APPARATUS HAVING A PLURALITY OF REACTORS CONNECTED TO EACH OTHER USING HYDROGEN PEROXIDE AND OPTIONALLY A MINERAL ACID | UBE INDUSTRIES, LTD. (JP) | 2000-03-28 | — | — | US | claimed |