⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4907047 | 0.91 | — | — | |
| SCHEMBL6591177 | 0.85 | CTSK (0.33) | — | |
| SCHEMBL4761958 | 0.84 | PSEN1 (0.31) | — | |
| SCHEMBL6592601 | 0.84 | — | — | |
| SCHEMBL6602697 | 0.83 | CTSK (0.36) | — | |
| SCHEMBL6591381 | 0.83 | PSEN1 (0.34) | — | |
| SCHEMBL4763000 | 0.82 | PSEN1 (0.36) | — | |
| SCHEMBL7536966 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL4768440 | 0.82 | — | — | |
| SCHEMBL6607371 | 0.82 | TSHR (0.33) | — |
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-1320370-A4 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORP (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1320370-A1 | METHOD OF TREATMENT | SmithKline Beecham Corporation (US) | 2003-06-25 | — | — | EP | disclosed |
| US-20030044399-A1 | Method of treatment | SMITHKLINE BEECHAM CORPORATION | 2003-03-06 | — | — | US | disclosed |
| WO-2002017924-A1 | METHOD OF TREATMENT | SMITHKLINE BEECHAM CORPORATION (GB) | 2002-03-07 | — | — | WO | disclosed |