⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6323004 | 0.90 | GPR119 (0.33) | — | |
| SCHEMBL6328304 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL6323000 | 0.76 | GPR119 (0.32) | — | |
| SCHEMBL6325539 | 0.73 | — | — | |
| SCHEMBL4038616 | 0.71 | XDH (0.38) | — | |
| SCHEMBL6326173 | 0.70 | POLB (0.35) | — | |
| SCHEMBL4039573 | 0.68 | GAA (0.35) | — | |
| SCHEMBL3357162 | 0.66 | NPSR1 (0.36) | — | |
| SCHEMBL3356340 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL20595463 | 0.64 | CTSK (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1423120-A4 | 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF | ICOS CORP (US) | 2005-12-28 | — | — | EP | disclosed |
| US-6924284-B2 | PARP inhibitors | ICOS CORPORATION (US) | 2005-08-02 | — | — | US | disclosed |
| EP-1423120-A1 | 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF | ICOS CORPORATION (US) | 2004-06-02 | — | — | EP | disclosed |
| US-20040087588-A1 | Parp inhibitors | ICOS CORPORATION | 2004-05-06 | — | — | US | disclosed |
| WO-2003015785-A1 | 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF | ICOS CORPORATION (US) | 2003-02-27 | — | — | WO | disclosed |