⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4053189 | 0.73 | — | — | |
| SCHEMBL13692895 | 0.73 | — | — | |
| SCHEMBL7039418 | 0.73 | — | — | |
| SCHEMBL14952668 | 0.73 | — | — | |
| SCHEMBL3674589 | 0.73 | — | — | |
| SCHEMBL7039413 | 0.73 | — | — | |
| SCHEMBL10397037 | 0.71 | PTPN7 (0.46) | — | |
| SCHEMBL4058521 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL20838863 | 0.71 | PTPN7 (0.46) | — | |
| SCHEMBL4831810 | 0.71 | — | — |
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-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |