⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13668743 | 0.80 | — | — | |
| SCHEMBL12611305 | 0.76 | — | — | |
| SCHEMBL2084497 | 0.76 | — | — | |
| SCHEMBL4650421 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL4651137 | 0.67 | — | — | |
| SCHEMBL4651335 | 0.67 | AURKA (0.34) | — | |
| SCHEMBL4651282 | 0.67 | AURKA (0.30) | — | |
| SCHEMBL4651338 | 0.67 | AURKA (0.34) | — | |
| SCHEMBL13953985 | 0.67 | — | — | |
| SCHEMBL2759885 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294705-B1 | SYNTHESIS OF CYCLIC COMPOUNDS | BIOSIGNAL LTD (AU) | 2008-09-10 | — | — | EP | disclosed |
| US-6958145-B2 | Synthesis of cyclic compounds | UNISEARCH LIMITED (AU) | 2005-10-25 | — | — | US | disclosed |
| EP-1294705-A4 | SYNTHESIS OF CYCLIC COMPOUNDS | UNISEARCH LTD (AU) | 2005-02-09 | — | — | EP | disclosed |
| US-20040110966-A1 | Synthesis of cyclic compounds | UNISEARCH LIMITED (AU) | 2004-06-10 | — | — | US | disclosed |
| EP-1294705-A1 | SYNTHESIS OF CYCLIC COMPOUNDS | UNISEARCH LIMITED (AU) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000639-A1 | SYNTHESIS OF CYCLIC COMPOUNDS | UNISEARCH LIMITED (AU) | 2002-01-03 | — | — | WO | disclosed |