⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24658645 | 0.79 | — | — | |
| SCHEMBL5025367 | 0.77 | — | — | |
| SCHEMBL15354289 | 0.77 | — | — | |
| SCHEMBL16186724 | 0.77 | — | — | |
| SCHEMBL24940627 | 0.77 | — | — | |
| SCHEMBL14684288 | 0.77 | — | — | |
| SCHEMBL11337696 | 0.75 | GABRA1 (0.31) | — | |
| SCHEMBL1003956 | 0.73 | — | — | |
| SCHEMBL23862813 | 0.73 | — | — | |
| SCHEMBL1003954 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10450300-B2 | Wnt signaling pathway inhibitors and therapeutic applications thereof | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-10-22 | — | — | US | disclosed |
| WO-2011082192-A1 | PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2011-07-07 | — | — | WO | disclosed |
| WO-2005103055-A1 | PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2005-11-03 | — | — | WO | disclosed |