⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2362307 | 0.73 | — | — | |
| SCHEMBL6235140 | 0.69 | — | — | |
| SCHEMBL7402489 | 0.65 | — | — | |
| SCHEMBL6232293 | 0.62 | — | — | |
| SCHEMBL7400174 | 0.61 | — | — | |
| SCHEMBL7404941 | 0.56 | — | — | |
| SCHEMBL6260334 | 0.56 | — | — | |
| SCHEMBL8679383 | 0.56 | — | — | |
| SCHEMBL1821150 | 0.55 | — | — | |
| SCHEMBL7406254 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0621867-B1 | NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION | FUJISAWA PHARMACEUTICAL CO (JP) | 1998-10-07 | — | — | EP | claimed |