⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9532550 | 0.84 | — | — | |
| SCHEMBL6593656 | 0.81 | — | — | |
| SCHEMBL1008473 | 0.80 | — | — | |
| SCHEMBL49983 | 0.79 | KIF11 (0.31) | — | |
| SCHEMBL80520 | 0.79 | KIF11 (0.31) | — | |
| SCHEMBL9325480 | 0.78 | — | — | |
| SCHEMBL1006368 | 0.77 | — | — | |
| SCHEMBL9030688 | 0.76 | — | — | |
| SCHEMBL9528791 | 0.76 | — | — | |
| SCHEMBL15271374 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114401968-A | Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-26 | — | — | CN | disclosed |
| 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 |