⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3248587 | 0.85 | — | — | |
| SCHEMBL4765752 | 0.83 | — | — | |
| SCHEMBL619635 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4771408 | 0.83 | — | — | |
| SCHEMBL6995701 | 0.82 | — | — | |
| SCHEMBL2275638 | 0.82 | — | — | |
| SCHEMBL1267649 | 0.82 | — | — | |
| SCHEMBL2205781 | 0.81 | — | — | |
| SCHEMBL2082008 | 0.81 | — | — | |
| SCHEMBL5370478 | 0.81 | — | — |
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-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |