⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3772081 | 1.00 | — | — | |
| SCHEMBL3767050 | 0.93 | THRB (0.30) | — | |
| SCHEMBL3767053 | 0.93 | THRB (0.30) | — | |
| SCHEMBL20305458 | 0.85 | — | — | |
| SCHEMBL3771515 | 0.85 | — | — | |
| SCHEMBL3771512 | 0.85 | — | — | |
| SCHEMBL4872076 | 0.76 | — | — | |
| SCHEMBL4872071 | 0.76 | — | — | |
| SCHEMBL4313268 | 0.75 | — | — | |
| SCHEMBL4313266 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119804691-A | Method for comprehensively identifying PFAS in environment by combining targeted analysis, suspicious screening and non-targeted identification | 中国科学院生态环境研究中心 | 2025-04-11 | — | — | CN | disclosed |
| US-7846956-B2 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090149425-A1 | Malononitrile compound as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-1704143-B1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-09-03 | — | — | EP | disclosed |