⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27660619 | 0.76 | — | — | |
| SCHEMBL4771993 | 0.70 | MPO (0.32) | — | |
| SCHEMBL12815552 | 0.68 | — | — | |
| Iodide SCHEMBL29025943 | 0.66 | — | — | |
| SCHEMBL19127561 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL968165 | 0.64 | — | — | |
| SCHEMBL5196281 | 0.64 | — | — | |
| SCHEMBL349988 | 0.59 | — | — | |
| SCHEMBL12257159 | 0.55 | — | — | |
| SCHEMBL27379568 | 0.54 | MPO (0.32) | — |
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-1991531-A1 | CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS | Amgen Inc. (US) | 2008-11-19 | — | — | EP | disclosed |
| EP-1989195-A1 | PHOSPHODIESTERASE 10 INHIBITORS | Amgen Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007103260-A1 | PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007100880-A1 | CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2007-09-07 | — | — | WO | disclosed |