⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1275326 | 0.86 | — | — | |
| Piperazine SCHEMBL7170530 | 0.84 | — | — | |
| SCHEMBL1843587 | 0.66 | — | — | |
| SCHEMBL3590744 | 0.63 | — | — | |
| SCHEMBL31059 | 0.61 | — | — | |
| SCHEMBL9058472 | 0.61 | CRBN (0.47) | — | |
| SCHEMBL21785045 | 0.61 | CRBN (0.47) | — | |
| SCHEMBL28887266 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL5740143 | 0.58 | CRBN (0.44) | — | |
| Bromide SCHEMBL19411899 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960587-B2 | Condensed pyrazindione derivatives as PDE inhibitors | LILLY ICOS LLC (US) | 2005-11-01 | — | — | US | disclosed |
| EP-1366050-B1 | CONDENSED PYRAZINDIONE DERIVATIVES AS PDE INHIBITORS | LILLY ICOS LLC (US) | 2005-04-13 | — | — | EP | disclosed |
| US-20040038978-A1 | Chemical compounds | LILLY ICOS LLC, A DELAWARE CORPORATION | 2004-02-26 | — | — | US | disclosed |