⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8815426 | 0.62 | — | — | |
| SCHEMBL3862434 | 0.62 | — | — | |
| SCHEMBL9817145 | 0.62 | — | — | |
| SCHEMBL7554177 | 0.54 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL8416616 | 0.51 | — | — | |
| SCHEMBL10995851 | 0.46 | — | — | |
| SCHEMBL31494129 | 0.41 | — | — | |
| SCHEMBL21986480 | 0.40 | — | — | |
| Benzene SCHEMBL4732222 | 0.36 | — | — | |
| SCHEMBL7559322 | 0.36 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1351979-B1 | REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-16 | — | — | EP | claimed |
| US-20220298154-A1 | PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX | DANA-FARBER CANCER INSTITUTE, INC. | 2022-09-22 | — | — | US | disclosed |
| US-11358960-B2 | Pyrazol-3-ones that activate pro-apoptotic BAX | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-06-14 | — | — | US | disclosed |
| EP-1351979-B1 | REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-16 | — | — | EP | disclosed |
| EP-1351979-A4 | REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-04-27 | — | — | EP | disclosed |
| US-20040053299-A1 | Regulated activation of cell-membrane receptors by metal-chelating agonists | SMITHKLINE BEECHAM CORPORATION | 2004-03-18 | — | — | US | disclosed |
| EP-1351979-A1 | REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS | SmithKline Beecham Corporation (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002057300-A1 | REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-07-25 | — | — | WO | disclosed |