⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874693 | 0.79 | — | — | |
| SCHEMBL16792394 | 0.76 | CYP11B2 (0.37) | — | |
| SCHEMBL1515467 | 0.76 | CYP11B2 (0.41) | — | |
| SCHEMBL1607524 | 0.74 | CYP11B2 (0.44) | — | |
| SCHEMBL3917224 | 0.71 | MAPK1 (0.34) | — | |
| SCHEMBL19328987 | 0.71 | — | — | |
| SCHEMBL17654219 | 0.69 | — | — | |
| SCHEMBL2894209 | 0.69 | HTR3A (0.40) | — | |
| SCHEMBL18284951 | 0.68 | CHRNB2 (0.53) | — | |
| SCHEMBL29557776 | 0.67 | CYP11B2 (0.58) | — |
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-2034993-A2 | PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007149448-A2 | PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-12-27 | — | — | WO | disclosed |
| EP-1848711-A1 | FUNGICIDAL PYRAZINE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006089060-A1 | FUNGICIDAL PYRAZINE DERIVATIVES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-08-24 | — | — | WO | disclosed |