⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL969786 | 0.76 | — | — | |
| SCHEMBL1566602 | 0.76 | — | — | |
| SCHEMBL3194321 | 0.71 | DAO (0.35) | — | |
| SCHEMBL1566543 | 0.69 | — | — | |
| SCHEMBL9402161 | 0.67 | — | — | |
| SCHEMBL85297 | 0.67 | — | — | |
| SCHEMBL9918670 | 0.67 | — | — | |
| SCHEMBL5136344 | 0.67 | — | — | |
| SCHEMBL1482895 | 0.67 | — | — | |
| SCHEMBL27431114 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7786079-B2 | Substituted nonadepsipeptides | AICURIS GMBH & CO. KG. (DE) | 2010-08-31 | — | — | US | disclosed |
| EP-1809653-B1 | SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO KG (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-20080058251-A1 | Substituted nonadepsipeptides | BAYER HEALTHCARE AG (DE) | 2008-03-06 | — | — | US | disclosed |
| EP-1809653-A1 | SUBSTITUTED NONADEPSIPEPTIDES | AiCuris GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006042654-A1 | SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO. KG (DE) | 2006-04-27 | — | — | WO | disclosed |