⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6933973 | 0.74 | — | — | |
| SCHEMBL4391269 | 0.72 | — | — | |
| SCHEMBL6940753 | 0.72 | — | — | |
| SCHEMBL987550 | 0.71 | — | — | |
| SCHEMBL9575226 | 0.71 | — | — | |
| SCHEMBL130495 | 0.69 | — | — | |
| SCHEMBL9873942 | 0.67 | TSHR (0.45) | — | |
| SCHEMBL6936828 | 0.65 | — | — | |
| SCHEMBL6046404 | 0.64 | — | — | |
| SCHEMBL10645 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5024694-A | Pre and postemergence herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-18 | — | — | US | disclosed |