⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL650558 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28058999 | 0.74 | — | — | |
| SCHEMBL2839901 | 0.72 | — | — | |
| SCHEMBL1602055 | 0.71 | — | — | |
| SCHEMBL1272596 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL6597192 | 0.69 | — | — | |
| SCHEMBL4007820 | 0.67 | — | — | |
| SCHEMBL3266977 | 0.67 | — | — | |
| SCHEMBL7213186 | 0.67 | — | — | |
| SCHEMBL909073 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678384-B2 | Insecticides, miticides, anthelmintics, nematocides for use on domestic animals, transgenic plants; 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[methyl(vinyl)amino]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile for example | MERIAL LIMITED (US) | 2010-03-16 | — | — | US | disclosed |