⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14200687 | 0.92 | NFKB1 (0.31) | — | |
| SCHEMBL14200695 | 0.91 | — | — | |
| SCHEMBL14200679 | 0.90 | — | — | |
| SCHEMBL14201377 | 0.90 | — | — | |
| SCHEMBL14200710 | 0.87 | — | — | |
| SCHEMBL14200722 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL14229045 | 0.84 | NPC1 (0.30) | — | |
| SCHEMBL14200686 | 0.83 | — | — | |
| SCHEMBL14200663 | 0.82 | — | — | |
| SCHEMBL14200718 | 0.82 | NFKB1 (0.32) | — |
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-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |