⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2187656 | 0.74 | — | — | |
| SCHEMBL2189167 | 0.74 | — | — | |
| SCHEMBL31747976 | 0.67 | ADORA2A (0.34) | — | |
| SCHEMBL2185761 | 0.66 | NPC1 (0.33) | — | |
| SCHEMBL2187447 | 0.66 | — | — | |
| SCHEMBL3979728 | 0.65 | — | — | |
| SCHEMBL2186667 | 0.62 | ACHE (0.34) | — | |
| SCHEMBL6021821 | 0.60 | KDM4E (0.30) | — | |
| SCHEMBL16751952 | 0.59 | CMA1 (0.34) | — | |
| SCHEMBL6021823 | 0.58 | NPSR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1710234-B1 | MALONONITRILE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2011-07-13 | — | — | EP | disclosed |