⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7952111 | 0.88 | EDNRB (0.58) | — | |
| SCHEMBL7943919 | 0.86 | — | — | |
| SCHEMBL7944100 | 0.75 | EDNRB (0.65) | — | |
| SCHEMBL27561158 | 0.73 | MAOB (0.45) | — | |
| SCHEMBL7954674 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL27561159 | 0.71 | MAOB (0.46) | — | |
| SCHEMBL1772524 | 0.70 | KDM4E (0.48) | — | |
| SCHEMBL7951980 | 0.69 | EDNRB (0.55) | — | |
| SCHEMBL7343148 | 0.69 | HSD11B1 (0.44) | — | |
| SCHEMBL7954029 | 0.69 | EDNRB (0.56) | — |
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-6218427-B1 | AS ENDOTHELIN RECEPTOR ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0924207-A1 | CHROMENE-3-CARBOXYLATE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1999-06-23 | — | — | EP | disclosed |