⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31728098 | 0.75 | CA2 (0.42) | — | |
| SCHEMBL6135584 | 0.74 | PARP1 (0.36) | — | |
| SCHEMBL196800 | 0.71 | TAAR1 (0.48) | — | |
| SCHEMBL1427338 | 0.70 | ACACB (0.45) | — | |
| SCHEMBL8030764 | 0.70 | ACACB (0.45) | — | |
| SCHEMBL28551561 | 0.69 | L3MBTL1 (0.44) | — | |
| SCHEMBL5144705 | 0.68 | — | — | |
| SCHEMBL28560393 | 0.68 | LPL (0.44) | — | |
| SCHEMBL3193037 | 0.66 | ALDH1A1 (0.44) | — | |
| SCHEMBL12002693 | 0.66 | SIGMAR1 (0.42) | — |
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-1565466-A2 | METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 | Merck & Co., Inc. (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004048377-A2 | METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| EP-1397359-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002094823-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-11-28 | — | — | WO | disclosed |