⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10144843 | 0.74 | ZDHHC7 (0.40) | — | |
| SCHEMBL9712753 | 0.72 | — | — | |
| SCHEMBL23359031 | 0.71 | — | — | |
| SCHEMBL3417775 | 0.69 | — | — | |
| SCHEMBL9352890 | 0.69 | — | — | |
| SCHEMBL31325160 | 0.68 | — | — | |
| SCHEMBL11068360 | 0.67 | — | — | |
| SCHEMBL23540738 | 0.67 | — | — | |
| SCHEMBL21723348 | 0.65 | — | — | |
| SCHEMBL23413533 | 0.65 | — | — |
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-5081287-A | Pesticidal polyhalo alkenoic acid esters | FMC CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |