⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4869155 | 0.91 | — | — | |
| SCHEMBL4861801 | 0.82 | HTT (0.37) | — | |
| SCHEMBL4861173 | 0.82 | NAAA (0.38) | — | |
| SCHEMBL4869286 | 0.81 | KMT2A (0.38) | — | |
| SCHEMBL4869103 | 0.80 | — | — | |
| SCHEMBL4870294 | 0.80 | NAAA (0.46) | — | |
| SCHEMBL4870609 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL4867083 | 0.78 | — | — | |
| SCHEMBL4861798 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL4867861 | 0.77 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7439266-B2 | Malononitrile compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-21 | — | — | US | disclosed |
| US-7439266-B2 | Malononitrile compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-21 | — | — | US | disclosed |
| US-20060004092-A1 | Malononitrile compound and use thereof pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-01-05 | — | — | US | disclosed |
| WO-2004020399-A1 | MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-03-11 | — | — | WO | disclosed |