⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2354630 | 0.80 | — | — | |
| SCHEMBL6636264 | 0.66 | GSK3A (0.30) | — | |
| SCHEMBL10679866 | 0.64 | — | — | |
| SCHEMBL8002495 | 0.61 | — | — | |
| SCHEMBL18797843 | 0.59 | — | — | |
| SCHEMBL8459791 | 0.58 | — | — | |
| SCHEMBL16971033 | 0.57 | — | — | |
| SCHEMBL9320860 | 0.52 | — | — | |
| SCHEMBL8144801 | 0.52 | — | — | |
| SCHEMBL15764627 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1313736-A2 | CONDENSED PYRAZINDIONE DERIVATIVES | Lilly Icos LLC (US) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002000657-A2 | CONDENSED PYRAZINDIONE DERIVATIVES | LILLY ICOS LLC (US) | 2002-01-03 | — | — | WO | disclosed |