⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7254929 | 0.82 | — | — | |
| SCHEMBL17601882 | 0.82 | — | — | |
| SCHEMBL5029018 | 0.78 | — | — | |
| SCHEMBL17616826 | 0.78 | — | — | |
| SCHEMBL500116 | 0.75 | — | — | |
| SCHEMBL10169614 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL12935471 | 0.75 | EED (0.31) | — | |
| SCHEMBL504183 | 0.74 | — | — | |
| SCHEMBL11519767 | 0.74 | — | — | |
| SCHEMBL426256 | 0.72 | TSHR (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130231334-A1 | METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS | SYNGENTA CROP PROTECTION LLC (US) | 2013-09-05 | — | — | US | disclosed |
| EP-2563118-A1 | METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS | Syngenta Participations AG (CH) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011134819-A1 | METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS | SYNGENTA PARTICIPATIONS AG (CH) | 2011-11-03 | — | — | WO | disclosed |