⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28769418 | 0.80 | CSNK2A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2186873 | 0.70 | — | — | |
| SCHEMBL29300459 | 0.60 | — | — | |
| SCHEMBL13792297 | 0.59 | — | — | |
| SCHEMBL29300304 | 0.58 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL940926 | 0.56 | — | — | |
| SCHEMBL11538653 | 0.54 | — | — | |
| SCHEMBL6356094 | 0.51 | — | — | |
| SCHEMBL740241 | 0.51 | — | — | |
| SCHEMBL31332900 | 0.51 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7541374-B2 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-02 | — | — | US | disclosed |
| US-20070117854-A1 | Malononitrile compounds and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-24 | — | — | US | disclosed |