⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL697779 | 0.75 | — | — | |
| SCHEMBL699071 | 0.67 | GAA (0.41) | — | |
| SCHEMBL2105568 | 0.66 | — | — | |
| SCHEMBL2105594 | 0.65 | — | — | |
| SCHEMBL2105795 | 0.64 | — | — | |
| SCHEMBL15323261 | 0.64 | — | — | |
| SCHEMBL2106406 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL2106587 | 0.62 | GABRP (0.31) | — | |
| SCHEMBL2104939 | 0.61 | — | — | |
| SCHEMBL2102880 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1661886-A1 | INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2006-05-31 | — | — | EP | disclosed |