⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL968195 | 0.72 | — | — | |
| SCHEMBL2541201 | 0.72 | — | — | |
| SCHEMBL1466423 | 0.70 | — | — | |
| SCHEMBL4319684 | 0.66 | AXL (0.36) | — | |
| SCHEMBL2174053 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL28170532 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL11106983 | 0.65 | — | — | |
| SCHEMBL6008601 | 0.62 | NAAA (0.37) | — | |
| SCHEMBL187789 | 0.61 | — | — | |
| SCHEMBL3949184 | 0.61 | — | — |
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 3 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 |