⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2956550 | 0.72 | — | — | |
| SCHEMBL9815183 | 0.69 | — | — | |
| SCHEMBL497180 | 0.67 | — | — | |
| SCHEMBL5090551 | 0.67 | — | — | |
| SCHEMBL12327087 | 0.67 | — | — | |
| SCHEMBL28092568 | 0.67 | — | — | |
| SCHEMBL127666 | 0.65 | — | — | |
| SCHEMBL14536622 | 0.65 | — | — | |
| SCHEMBL994559 | 0.65 | — | — | |
| SCHEMBL7448988 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809654-A1 | HETEROCYCLYL-SUBSTITUTED NONADEPSIPEPTIDES | AiCuris GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | claimed |
| WO-2006042653-A1 | HETEROCYCLYL-SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO. KG (DE) | 2006-04-27 | — | — | WO | claimed |
| EP-1809654-A1 | HETEROCYCLYL-SUBSTITUTED NONADEPSIPEPTIDES | AiCuris GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006042653-A1 | HETEROCYCLYL-SUBSTITUTED NONADEPSIPEPTIDES | AICURIS GMBH & CO. KG (DE) | 2006-04-27 | — | — | WO | disclosed |