⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24134377 | 0.65 | NOS3 (0.41) | — | |
| SCHEMBL23638972 | 0.64 | — | — | |
| SCHEMBL22109493 | 0.57 | — | — | |
| SCHEMBL23468915 | 0.57 | — | — | |
| SCHEMBL20686155 | 0.55 | — | — | |
| SCHEMBL2843552 | 0.55 | — | — | |
| SCHEMBL23506757 | 0.54 | — | — | |
| SCHEMBL22337585 | 0.54 | NOS3 (0.30) | — | |
| SCHEMBL22766734 | 0.53 | — | — | |
| SCHEMBL29838690 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020120694-A1 | PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-06-18 | — | — | WO | disclosed |
| WO-2020030503-A1 | PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2020-02-13 | — | — | WO | disclosed |