⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884153 | 0.72 | — | — | |
| SCHEMBL5011738 | 0.72 | — | — | |
| SCHEMBL4769203 | 0.72 | CA2 (0.31) | — | |
| SCHEMBL27964898 | 0.72 | CA2 (0.39) | — | |
| SCHEMBL1014804 | 0.71 | NISCH (0.32) | — | |
| SCHEMBL7343048 | 0.69 | — | — | |
| SCHEMBL5752486 | 0.69 | POLB (0.31) | — | |
| SCHEMBL5015001 | 0.68 | — | — | |
| SCHEMBL4013126 | 0.67 | MEN1 (0.36) | — | |
| SCHEMBL7340119 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882030-B1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GMBH (DE) | 2001-09-12 | — | — | EP | disclosed |
| US-6017939-A | 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect | MERCK PATENT GESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| EP-0882030-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-09 | — | — | EP | disclosed |
| WO-1998042702-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |
| WO-1997030982-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | disclosed |