⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1259804 | 0.72 | — | — | |
| SCHEMBL25401899 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL26122186 | 0.67 | NOS1 (0.47) | — | |
| SCHEMBL9191208 | 0.65 | HRH4 (0.52) | — | |
| SCHEMBL9036380 | 0.65 | — | — | |
| SCHEMBL2876964 | 0.63 | — | — | |
| SCHEMBL7703059 | 0.63 | — | — | |
| SCHEMBL7324404 | 0.63 | ALDH1A1 (0.50) | — | |
| SCHEMBL11680379 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL6546580 | 0.61 | ALDH1A1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7884242-B2 | N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide | BAYER CROPSCIENCE AG (DE) | 2011-02-08 | — | — | US | disclosed |
| US-20090023752-A1 | N-Heterocyclylphthaldiamides as Insecticides | BAYER CROPSCIENCE AG (DE) | 2009-01-22 | — | — | US | disclosed |