⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5612705 | 0.85 | ALOX15 (0.32) | — | |
| SCHEMBL6163990 | 0.78 | NOS3 (0.35) | — | |
| SCHEMBL5612891 | 0.73 | PBRM1 (0.47) | — | |
| SCHEMBL6164730 | 0.72 | METAP2 (0.49) | — | |
| SCHEMBL87533 | 0.71 | — | — | |
| SCHEMBL2197897 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL5612909 | 0.68 | — | — | |
| SCHEMBL2024760 | 0.67 | — | — | |
| SCHEMBL17203401 | 0.67 | KMT2A (0.44) | — | |
| SCHEMBL3508077 | 0.65 | METAP2 (0.45) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050143578-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2005-06-30 | — | — | US | claimed |
| US-20040192914-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-09-30 | — | — | US | claimed |
| US-20050143578-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2005-06-30 | — | — | US | disclosed |
| EP-1434772-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2005-05-04 | — | — | EP | disclosed |
| US-20040192914-A1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2004-09-30 | — | — | US | disclosed |
| EP-1434772-A1 | COMPOUNDS AND METHODS | SmithKline Beecham Corporation (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003031434-A1 | COMPOUNDS AND METHODS | SMITH KLINE BEECHAM CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |