⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2348095 | 0.78 | HPGDS (0.33) | — | |
| SCHEMBL8079890 | 0.70 | — | — | |
| SCHEMBL16855884 | 0.65 | LTA4H (0.60) | — | |
| SCHEMBL8334329 | 0.64 | HPGDS (0.49) | — | |
| SCHEMBL100765 | 0.63 | HPGDS (0.46) | — | |
| SCHEMBL9169500 | 0.63 | — | — | |
| SCHEMBL11381307 | 0.60 | HPGDS (0.33) | — | |
| SCHEMBL216707 | 0.57 | — | — | |
| SCHEMBL5200683 | 0.56 | HPGDS (0.35) | — | |
| SCHEMBL5728525 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004016596-A1 | CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS | GLENMARK PHARMACEUTICALS LIMITED (US) | 2004-02-26 | — | — | WO | disclosed |