⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1148174 | 0.72 | — | — | |
| SCHEMBL291956 | 0.70 | — | — | |
| SCHEMBL7028983 | 0.70 | — | — | |
| SCHEMBL10765850 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3986434 | 0.67 | — | — | |
| SCHEMBL756787 | 0.65 | — | — | |
| Chloromethane SCHEMBL774036 | 0.65 | — | — | |
| SCHEMBL31316707 | 0.62 | — | — | |
| SCHEMBL31729535 | 0.62 | — | — | |
| SCHEMBL9343720 | 0.61 | ALDH1A1 (0.40) | — |
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 4 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 | disclosed |
| US-6235717-B1 | Pharmaceutical compounds | GLAXO WELLCOME INC. | 2001-05-22 | — | — | US | 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 |