⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8889982 | 0.82 | — | — | |
| SCHEMBL6335738 | 0.78 | — | — | |
| SCHEMBL2749864 | 0.74 | — | — | |
| SCHEMBL6302424 | 0.73 | — | — | |
| SCHEMBL4801625 | 0.70 | — | — | |
| SCHEMBL2752470 | 0.70 | — | — | |
| SCHEMBL4807699 | 0.68 | — | — | |
| SCHEMBL4012868 | 0.65 | — | — | |
| SCHEMBL7863609 | 0.64 | — | — | |
| SCHEMBL5556956 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585446-A1 | COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF | Shionogi&Co., Ltd. (JP) | 2013-05-01 | — | — | EP | disclosed |
| CN-102574858-A | Bicyclic heterocycles and their use as CCR2 receptor antagonists | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | disclosed |
| WO-2011162409-A1 | COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2011-12-29 | — | — | WO | disclosed |
| 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-6881742-B1 | Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-19 | — | — | US | disclosed |
| US-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | JONES TODD K (US) | 2005-01-27 | — | — | US | disclosed |