⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9397859 | 0.76 | — | — | |
| SCHEMBL6047591 | 0.68 | SPHK1 (0.33) | — | |
| SCHEMBL6507628 | 0.67 | — | — | |
| SCHEMBL9378780 | 0.58 | MEN1 (0.37) | — | |
| SCHEMBL166930 | 0.57 | — | — | |
| SCHEMBL7209791 | 0.54 | — | — | |
| SCHEMBL1446243 | 0.54 | — | — | |
| SCHEMBL20003437 | 0.54 | — | — | |
| SCHEMBL24336477 | 0.53 | — | — | |
| SCHEMBL24293936 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |