⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL676139 | 0.88 | CA12 (0.46) | — | |
| SCHEMBL21067305 | 0.88 | CA12 (0.46) | — | |
| SCHEMBL15908093 | 0.84 | — | — | |
| SCHEMBL21226770 | 0.82 | — | — | |
| SCHEMBL20385955 | 0.80 | MAOA (0.38) | — | |
| SCHEMBL22811019 | 0.78 | — | — | |
| SCHEMBL15936612 | 0.76 | HIF1A (0.41) | — | |
| SCHEMBL20002072 | 0.74 | LMNA (0.50) | — | |
| SCHEMBL24064601 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL13337951 | 0.74 | OPRM1 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9504254-B2 | Agents for combating plant pests | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-11-29 | — | — | US | disclosed |
| US-8853126-B2 | Agents for controlling plant pests | BAYER AKTIENGESELLSCHAFT (DE) | 2014-10-07 | — | — | US | disclosed |
| US-20140107112-A1 | Agents for Combating Plant Pests | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-17 | — | — | US | disclosed |
| US-20120165374-A1 | AGENTS FOR CONTROLLING PLANT PESTS | BAYER CROPSCIENCE AG (DE) | 2012-06-28 | — | — | US | disclosed |