⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13722590 | 0.77 | — | — | |
| SCHEMBL4742508 | 0.73 | — | — | |
| SCHEMBL4805016 | 0.73 | — | — | |
| SCHEMBL4015171 | 0.73 | — | — | |
| SCHEMBL18795255 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL18930034 | 0.68 | — | — | |
| SCHEMBL4805626 | 0.66 | CA12 (0.41) | — | |
| SCHEMBL4806936 | 0.66 | ACHE (0.35) | — | |
| SCHEMBL14639047 | 0.65 | — | — | |
| SCHEMBL4929311 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7465808-B2 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-12-16 | — | — | US | disclosed |
| US-20060014817-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-01-19 | — | — | US | 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-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | disclosed |