⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5280796 | 0.80 | — | — | |
| SCHEMBL256017 | 0.77 | — | — | |
| SCHEMBL10445253 | 0.77 | — | — | |
| SCHEMBL5842007 | 0.75 | — | — | |
| SCHEMBL956381 | 0.75 | — | — | |
| SCHEMBL3253224 | 0.75 | — | — | |
| SCHEMBL7451426 | 0.73 | — | — | |
| SCHEMBL23844641 | 0.71 | — | — | |
| SCHEMBL5754614 | 0.71 | — | — | |
| SCHEMBL22838128 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379240-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2009-04-08 | — | — | EP | claimed |
| JP-2005506299-A | — | — | 2005-03-03 | — | — | JP | claimed |
| EP-1379240-A1 | COMPOUNDS AND METHODS | SmithKline Beecham Corporation (US) | 2004-01-14 | — | — | EP | claimed |
| WO-2002078696-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-10 | — | — | WO | claimed |