⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16153783 | 0.72 | — | — | |
| SCHEMBL12765513 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL12451846 | 0.64 | — | — | |
| SCHEMBL16430654 | 0.61 | — | — | |
| SCHEMBL14320895 | 0.61 | — | — | |
| SCHEMBL2885218 | 0.61 | — | — | |
| SCHEMBL13621467 | 0.61 | — | — | |
| SCHEMBL10868050 | 0.61 | — | — | |
| SCHEMBL8852783 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL200206 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507509-B2 | Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-08-13 | — | — | US | disclosed |
| US-20100298356-A1 | SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-25 | — | — | US | disclosed |