⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7490706 | 0.75 | ADORA2A (0.30) | — | |
| SCHEMBL7492429 | 0.65 | KCNH2 (0.37) | — | |
| SCHEMBL6206473 | 0.62 | TGFBR1 (0.37) | — | |
| SCHEMBL7493929 | 0.61 | PDE10A (0.40) | — | |
| SCHEMBL23176063 | 0.60 | DYRK1A (0.34) | — | |
| SCHEMBL12094182 | 0.58 | DYRK1A (0.36) | — | |
| SCHEMBL2407890 | 0.57 | — | — | |
| SCHEMBL975994 | 0.55 | — | — | |
| SCHEMBL2750457 | 0.55 | TGFBR1 (0.51) | — | |
| SCHEMBL17254528 | 0.54 | EGLN2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915093-B1 | AMIDE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2002-11-27 | — | — | EP | disclosed |
| US-6166016-A | Amide derivatives | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-0915093-A1 | AMIDE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1999-05-12 | — | — | EP | disclosed |