⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16657628 | 0.88 | — | — | |
| SCHEMBL16660627 | 0.87 | SLC6A9 (0.31) | — | |
| SCHEMBL16657651 | 0.87 | ELOVL1 (0.30) | — | |
| SCHEMBL16657654 | 0.86 | SLC6A9 (0.34) | — | |
| SCHEMBL16657674 | 0.85 | — | — | |
| SCHEMBL16657649 | 0.84 | SLC6A9 (0.32) | — | |
| SCHEMBL16657656 | 0.83 | SLC6A9 (0.31) | — | |
| SCHEMBL16657641 | 0.80 | USP2 (0.30) | — | |
| SCHEMBL16657636 | 0.80 | — | — | |
| SCHEMBL16657653 | 0.77 | 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 2 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 |
| US-20150111732-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC | 2015-04-23 | — | — | US | disclosed |