⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8450985 | 0.96 | — | — | |
| SCHEMBL8450914 | 0.94 | OPRL1 (0.31) | — | |
| SCHEMBL8835409 | 0.91 | — | — | |
| SCHEMBL8835401 | 0.91 | — | — | |
| SCHEMBL8834983 | 0.88 | — | — | |
| SCHEMBL8834985 | 0.88 | — | — | |
| SCHEMBL6451812 | 0.87 | — | — | |
| SCHEMBL6451808 | 0.87 | — | — | |
| SCHEMBL6451805 | 0.87 | — | — | |
| SCHEMBL8446671 | 0.85 | — | — |
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-0624586-B1 | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 1999-09-01 | — | — | EP | disclosed |
| EP-0624586-A1 | Substituted pyrroles | F. HOFFMANN-LA ROCHE AG (CH) | 1994-11-17 | — | — | EP | disclosed |