⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533365 | 0.82 | — | — | |
| SCHEMBL17134413 | 0.78 | — | — | |
| SCHEMBL1008475 | 0.77 | — | — | |
| SCHEMBL17134412 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL19025 | 0.77 | SLC6A2 (0.34) | — | |
| SCHEMBL41971 | 0.77 | MAPT (0.42) | — | |
| SCHEMBL28513358 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL27649737 | 0.75 | SLC6A2 (0.33) | — | |
| SCHEMBL28109965 | 0.75 | GPR3 (0.42) | — | |
| SCHEMBL9325490 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2430023-B1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-12-11 | — | — | EP | disclosed |
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292212-A1 | NEW AZACYCLIC DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | US | disclosed |