⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166728 | 0.76 | — | — | |
| SCHEMBL6902342 | 0.72 | — | — | |
| SCHEMBL20076592 | 0.72 | — | — | |
| SCHEMBL11719935 | 0.70 | — | — | |
| SCHEMBL11719941 | 0.70 | — | — | |
| SCHEMBL11719932 | 0.70 | — | — | |
| SCHEMBL4032427 | 0.70 | — | — | |
| SCHEMBL4032424 | 0.70 | — | — | |
| SCHEMBL12799287 | 0.68 | — | — | |
| SCHEMBL7929543 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2772480-B2 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-2772480-B1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2018-05-23 | — | — | EP | disclosed |
| WO-2011030068-A1 | USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE | LABORATOIRES FOURNIER SA (FR) | 2011-03-17 | — | — | WO | disclosed |