⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830964 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL22522697 | 0.76 | IDO1 (0.32) | — | |
| SCHEMBL26177203 | 0.76 | LOXL2 (0.33) | — | |
| SCHEMBL7996241 | 0.76 | VNN1 (0.30) | — | |
| SCHEMBL4762481 | 0.76 | ESR1 (0.38) | — | |
| SCHEMBL26988165 | 0.76 | — | — | |
| SCHEMBL4594548 | 0.76 | RECQL (0.30) | — | |
| SCHEMBL15927347 | 0.74 | NPC1 (0.38) | — | |
| SCHEMBL7992164 | 0.74 | — | — | |
| SCHEMBL7996451 | 0.74 | — | — |
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-1555259-B1 | Malononitrile compounds as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-01-02 | — | — | EP | disclosed |
| EP-1555259-A1 | Malononitrile compounds as pesticides | Sumitomo Chemical Company, Limited (JP) | 2005-07-20 | — | — | EP | disclosed |
| WO-1997038995-A1 | FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES | ZENECA LIMITED (GB) | 1997-10-23 | — | — | WO | disclosed |