⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26616 | 0.91 | — | — | |
| SCHEMBL29250218 | 0.86 | — | — | |
| Propene SCHEMBL7112693 | 0.78 | — | — | |
| SCHEMBL8353163 | 0.70 | — | — | |
| SCHEMBL192 | 0.67 | — | — | |
| SCHEMBL11498161 | 0.67 | — | — | |
| SCHEMBL3804487 | 0.67 | — | — | |
| SCHEMBL17164676 | 0.67 | — | — | |
| SCHEMBL23211181 | 0.61 | — | — | |
| SCHEMBL22807008 | 0.61 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1029869-B1 | Endothelin converting enzyme inhibitors | WELLCOME FOUND (GB) | 2003-04-23 | — | — | EP | claimed |
| EP-1029869-A1 | Endothelin converting enzyme inhibitors | THE WELLCOME FOUNDATION LIMITED (GB) | 2000-08-23 | — | — | EP | claimed |
| EP-0677059-A1 | ENDOTHELIN CONVERTING ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-10-18 | — | — | EP | claimed |
| WO-1994015956-A1 | ENDOTHELIN CONVERTING ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-07-21 | — | — | WO | claimed |
| EP-1029869-A1 | Endothelin converting enzyme inhibitors | THE WELLCOME FOUNDATION LIMITED (GB) | 2000-08-23 | — | — | EP | disclosed |
| EP-0677059-A1 | ENDOTHELIN CONVERTING ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994015956-A1 | ENDOTHELIN CONVERTING ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-07-21 | — | — | WO | disclosed |