⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730672 | 0.69 | — | — | |
| SCHEMBL16910837 | 0.57 | — | — | |
| SCHEMBL12856389 | 0.54 | ADORA2A (0.33) | — | |
| SCHEMBL8310157 | 0.54 | — | — | |
| SCHEMBL8426256 | 0.53 | — | — | |
| SCHEMBL16911570 | 0.52 | — | — | |
| SCHEMBL18308883 | 0.52 | ADORA2A (0.32) | — | |
| SCHEMBL16911758 | 0.52 | — | — | |
| SCHEMBL4676478 | 0.52 | — | — | |
| SCHEMBL22083541 | 0.51 | ADORA2A (0.31) | — |
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 |