⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14200697 | 0.93 | — | — | |
| SCHEMBL14200698 | 0.89 | — | — | |
| SCHEMBL14229383 | 0.89 | HTT (0.30) | — | |
| SCHEMBL14229046 | 0.84 | HTT (0.30) | — | |
| SCHEMBL14200676 | 0.81 | — | — | |
| SCHEMBL14200747 | 0.79 | HTT (0.34) | — | |
| SCHEMBL14200677 | 0.79 | HTT (0.38) | — | |
| SCHEMBL14229391 | 0.77 | FDPS (0.31) | — | |
| SCHEMBL14200624 | 0.76 | NPC1 (0.30) | — | |
| SCHEMBL14200687 | 0.75 | NFKB1 (0.31) | — |
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 |