⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7579993 | 0.88 | P2RX7 (0.32) | — | |
| SCHEMBL8059939 | 0.85 | — | — | |
| SCHEMBL4564688 | 0.84 | BMP1 (0.30) | — | |
| SCHEMBL4563287 | 0.83 | RORC (0.32) | — | |
| SCHEMBL4419699 | 0.82 | — | — | |
| SCHEMBL7173011 | 0.80 | — | — | |
| SCHEMBL5609494 | 0.80 | — | — | |
| SCHEMBL4563644 | 0.78 | PTGES (0.35) | — | |
| SCHEMBL5609005 | 0.77 | P2RX7 (0.32) | — | |
| SCHEMBL4564375 | 0.76 | CYP1A2 (0.41) | — |
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-1592387-A4 | COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS | ELAN PHARM INC (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1592387-A2 | COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS | Elan Pharmaceuticals, Inc. (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004066932-A2 | COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS | ELAN PHARMACEUTICALS INC. (US) | 2004-08-12 | — | — | WO | disclosed |