⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5887734 | 0.76 | RORB (0.36) | — | |
| SCHEMBL27653332 | 0.61 | KDM4E (0.42) | — | |
| SCHEMBL3991919 | 0.59 | — | — | |
| SCHEMBL2306242 | 0.58 | KDM4E (0.50) | — | |
| SCHEMBL31609474 | 0.58 | — | — | |
| SCHEMBL170627 | 0.58 | — | — | |
| SCHEMBL3627353 | 0.57 | NISCH (0.42) | — | |
| SCHEMBL15669217 | 0.57 | ADORA2A (0.47) | — | |
| SCHEMBL4633192 | 0.57 | KDM4E (0.48) | — | |
| SCHEMBL31397781 | 0.57 | KDM4E (0.48) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781617-A4 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-24 | — | — | EP | disclosed |
| US-7465808-B2 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-12-16 | — | — | US | disclosed |
| EP-1781617-A2 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| EP-1641762-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-05 | — | — | EP | disclosed |
| US-20060014817-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-01-19 | — | — | US | disclosed |
| WO-2006004742-A2 | α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARAMCEUTICA N.V. (BE) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004195-A1 | Alpha,beta-unsaturated esters and acids by stereoselective dehydration | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-01-05 | — | — | US | disclosed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | disclosed |
| WO-2005005393-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | disclosed |