⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16660571 | 0.95 | SLC6A9 (0.31) | — | |
| SCHEMBL16660619 | 0.91 | SLC6A9 (0.30) | — | |
| SCHEMBL16657650 | 0.87 | SLC6A9 (0.30) | — | |
| SCHEMBL16660542 | 0.86 | DGAT1 (0.34) | — | |
| SCHEMBL15363444 | 0.85 | ELOVL1 (0.31) | — | |
| SCHEMBL16660556 | 0.84 | SLC6A9 (0.32) | — | |
| SCHEMBL16660675 | 0.83 | ELOVL1 (0.31) | — | |
| SCHEMBL16660629 | 0.83 | SLC6A9 (0.32) | — | |
| SCHEMBL16652066 | 0.83 | SLC6A9 (0.33) | — | |
| SCHEMBL16657655 | 0.82 | SLC6A9 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9497966-B2 | Pesticidal compositions and related methods | DOW AGROSCIENCES LLC (US) | 2016-11-22 | — | — | US | disclosed |
| WO-2015061157-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC (US) | 2015-04-30 | — | — | WO | disclosed |
| US-20150111732-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC | 2015-04-23 | — | — | US | disclosed |