⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7644419 | 0.78 | — | — | |
| SCHEMBL22500788 | 0.78 | LPAR3 (0.34) | — | |
| SCHEMBL7644413 | 0.78 | — | — | |
| SCHEMBL9295650 | 0.76 | — | — | |
| SCHEMBL9295733 | 0.76 | — | — | |
| SCHEMBL9295652 | 0.76 | — | — | |
| SCHEMBL10376827 | 0.74 | BTN3A1 (0.41) | — | |
| SCHEMBL2997011 | 0.74 | — | — | |
| SCHEMBL5823686 | 0.74 | — | — | |
| SCHEMBL9056275 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2550037-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLODEXTRIN COPOLYMER | Fresenius Medical Care Deutschland GmbH (DE) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011116908-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLODEXTRIN COPOLYMER | FRESENIUS MEDICAL CARE DEUTSCHLAND GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |