⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16660593 | 0.84 | SLC6A2 (0.32) | — | |
| SCHEMBL16660623 | 0.82 | GRM1 (0.30) | — | |
| SCHEMBL16660591 | 0.82 | — | — | |
| SCHEMBL15359995 | 0.80 | SLC6A2 (0.34) | — | |
| SCHEMBL16660541 | 0.78 | SLC6A2 (0.34) | — | |
| SCHEMBL15357112 | 0.78 | SLC6A2 (0.32) | — | |
| SCHEMBL16660666 | 0.76 | — | — | |
| SCHEMBL16660553 | 0.76 | SLC6A2 (0.35) | — | |
| SCHEMBL15357173 | 0.76 | SLC6A2 (0.33) | — | |
| SCHEMBL15346453 | 0.76 | CPB2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015061157-A1 | PESTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC (US) | 2015-04-30 | — | — | WO | disclosed |