⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL721891 | 0.71 | — | — | |
| SCHEMBL3721832 | 0.71 | — | — | |
| SCHEMBL21599318 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL30870492 | 0.70 | — | — | |
| SCHEMBL8443581 | 0.67 | — | — | |
| SCHEMBL2186034 | 0.67 | — | — | |
| SCHEMBL14375499 | 0.67 | DYRK1A (0.37) | — | |
| SCHEMBL21166256 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL29542342 | 0.66 | SIGMAR1 (0.39) | — | |
| SCHEMBL31283271 | 0.64 | AR (0.36) | — |
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-A1 | MALONONITRILE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2006-10-11 | — | — | EP | disclosed |