⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6247083 | 0.72 | — | — | |
| SCHEMBL5907503 | 0.67 | — | — | |
| SCHEMBL1985510 | 0.67 | — | — | |
| SCHEMBL3945027 | 0.61 | — | — | |
| SCHEMBL11203996 | 0.58 | — | — | |
| SCHEMBL6182386 | 0.58 | — | — | |
| SCHEMBL12614610 | 0.58 | — | — | |
| SCHEMBL3991919 | 0.55 | — | — | |
| SCHEMBL11593309 | 0.53 | — | — | |
| SCHEMBL11686398 | 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 4 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 |
| US-4459150-A | 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides | MAY & BAKER LIMITED (GB) | 1984-07-10 | — | — | US | disclosed |