⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14620997 | 0.83 | — | — | |
| SCHEMBL5674014 | 0.76 | — | — | |
| SCHEMBL10514714 | 0.74 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL11466216 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL6947226 | 0.74 | SMPD3 (0.32) | — | |
| SCHEMBL8548441 | 0.73 | — | — | |
| SCHEMBL7258286 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL3690726 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL12458920 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11277368 | 0.67 | GAA (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1704143-A1 | MALONONITRILE COMPOUND AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068432-A1 | MALONONITRILE COMPOUND AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-07-28 | — | — | WO | disclosed |
| WO-2003095441-A1 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2003-11-20 | — | — | WO | disclosed |
| WO-2003000690-A1 | SYNTHESIS OF HETEROCYCLIC COMPOUNDS EMPLOYING MICROWAVE TECHNOLOGY | AVENTIS PHARMACEUTICALS INC. (US) | 2003-01-03 | — | — | WO | disclosed |