⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13064915 | 1.00 | — | — | |
| SCHEMBL432578 | 0.96 | CYP11B1 (0.30) | — | |
| SCHEMBL432211 | 0.93 | KLKB1 (0.32) | — | |
| SCHEMBL431090 | 0.92 | ACACB (0.30) | — | |
| SCHEMBL431093 | 0.89 | KLKB1 (0.34) | — | |
| SCHEMBL432217 | 0.88 | ACACB (0.31) | — | |
| SCHEMBL432210 | 0.87 | ACACB (0.39) | — | |
| SCHEMBL13065039 | 0.87 | ACACB (0.39) | — | |
| SCHEMBL431335 | 0.86 | S1PR1 (0.33) | — | |
| SCHEMBL13065688 | 0.86 | S1PR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065066-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120065066-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-03-15 | — | — | US | disclosed |