⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5691742 | 1.00 | — | — | |
| SCHEMBL5694051 | 0.87 | — | — | |
| SCHEMBL6678521 | 0.80 | C5AR1 (0.40) | — | |
| SCHEMBL5691748 | 0.77 | MGAM (0.34) | — | |
| SCHEMBL34511 | 0.65 | SELL (0.36) | — | |
| SCHEMBL3106769 | 0.64 | TP53 (0.39) | — | |
| SCHEMBL6679629 | 0.63 | NR1I2 (0.32) | — | |
| SCHEMBL3861937 | 0.63 | TSHR (0.42) | — | |
| SCHEMBL27608831 | 0.63 | LOXL2 (0.46) | — | |
| SCHEMBL5694057 | 0.63 | MGAM (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060293526-A1 | Immobilised imidazoles and ruthenium catalysts | MERK PATENT GMBH (DE) | 2006-12-28 | — | — | US | disclosed |
| EP-1654064-A2 | IMMOBILISED IMIDAZOLES AND RUTHENIUM CATALYSTS | MERCK PATENT GmbH (DE) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005016524-A2 | IMMOBILISED IMIDAZOLES AND RUTHENIUM CATALYSTS | MERCK PATENT GMBH (DE) | 2005-02-24 | — | — | WO | disclosed |