⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14200624 | 0.93 | NPC1 (0.30) | — | |
| SCHEMBL14200652 | 0.93 | — | — | |
| SCHEMBL14200639 | 0.89 | — | — | |
| SCHEMBL14229542 | 0.87 | PSMB5 (0.31) | — | |
| SCHEMBL14200610 | 0.83 | NPC1 (0.31) | — | |
| SCHEMBL14200606 | 0.82 | — | — | |
| SCHEMBL14229044 | 0.80 | GABRP (0.32) | — | |
| SCHEMBL14229172 | 0.79 | — | — | |
| SCHEMBL14200619 | 0.78 | PDK1 (0.32) | — | |
| SCHEMBL14200637 | 0.76 | MLYCD (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |