⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18099095 | 0.95 | — | — | |
| SCHEMBL18098907 | 0.81 | MAOA (0.33) | — | |
| SCHEMBL18098906 | 0.79 | ABL1 (0.34) | — | |
| SCHEMBL18098979 | 0.78 | ABL1 (0.33) | — | |
| SCHEMBL18098971 | 0.78 | RIPK2 (0.36) | — | |
| SCHEMBL18099065 | 0.74 | MAOA (0.33) | — | |
| SCHEMBL4549496 | 0.74 | MAOA (0.33) | — | |
| SCHEMBL2743621 | 0.74 | MAOA (0.33) | — | |
| SCHEMBL18099002 | 0.73 | RIPK2 (0.36) | — | |
| SCHEMBL18098968 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247603-B1 | PESTICIDAL COMPOSITIONS | DOW AGROSCIENCES LLC (US) | 2016-09-28 | — | — | EP | disclosed |