⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7175077 | 1.00 | — | — | |
| SCHEMBL7175075 | 1.00 | — | — | |
| SCHEMBL7534536 | 0.92 | — | — | |
| SCHEMBL7534531 | 0.92 | — | — | |
| SCHEMBL6886137 | 0.85 | — | — | |
| SCHEMBL7177530 | 0.84 | DDAH1 (0.31) | — | |
| SCHEMBL7177528 | 0.84 | DDAH1 (0.31) | — | |
| SCHEMBL5393749 | 0.80 | EPHX1 (0.35) | — | |
| SCHEMBL5394540 | 0.78 | — | — | |
| SCHEMBL7174861 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289558-A2 | COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC | WARNER-LAMBERT COMPANY LLC (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001091736-A2 | COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC | WARNER-LAMBERT COMPANY (US) | 2001-12-06 | — | — | WO | disclosed |