⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8671567 | 0.78 | MMP8 (0.46) | — | |
| SCHEMBL7012372 | 0.74 | — | — | |
| SCHEMBL1372325 | 0.74 | — | — | |
| SCHEMBL11722378 | 0.72 | SLC6A2 (0.42) | — | |
| SCHEMBL4526544 | 0.70 | — | — | |
| SCHEMBL5542040 | 0.70 | — | — | |
| SCHEMBL27288252 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL9036963 | 0.69 | — | — | |
| SCHEMBL16937291 | 0.67 | KMT2A (0.43) | — | |
| SCHEMBL26542057 | 0.67 | PRMT6 (0.52) | — |
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 |