⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9838365 | 0.87 | PDE4B (0.48) | — | |
| SCHEMBL1059182 | 0.87 | — | — | |
| SCHEMBL9836212 | 0.84 | — | — | |
| SCHEMBL1059283 | 0.84 | — | — | |
| SCHEMBL9838383 | 0.83 | — | — | |
| SCHEMBL8228061 | 0.83 | PDE4B (0.65) | — | |
| SCHEMBL10961108 | 0.82 | — | — | |
| SCHEMBL10958297 | 0.81 | PDE4B (0.56) | — | |
| SCHEMBL9836718 | 0.80 | PDE4B (0.48) | — | |
| SCHEMBL2457450 | 0.79 | NPC1 (0.61) | — |
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-0180318-B1 | AMIDE DERIVATIVES | ICI AMERICAS INC. (US) | 1991-11-06 | — | — | EP | disclosed |
| US-4745121-A | AMINE OR CARBOXAMIDE SUBSTITUTED | ICI AMERICAS INC. (US) | 1988-05-17 | — | — | US | disclosed |
| EP-0180318-A1 | Amide derivatives | ICI AMERICAS INC. (US) | 1986-05-07 | — | — | EP | disclosed |