⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2671575 | 0.96 | — | — | |
| SCHEMBL4046300 | 0.92 | — | — | |
| SCHEMBL28435678 | 0.92 | — | — | |
| Iodide SCHEMBL11348804 | 0.92 | — | — | |
| Bromide SCHEMBL11354974 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1170290 | 0.92 | — | — | |
| SCHEMBL5322732 | 0.88 | — | — | |
| SCHEMBL827627 | 0.88 | — | — | |
| Lithium Ion SCHEMBL1408733 | 0.88 | — | — | |
| SCHEMBL27485439 | 0.85 | — | — |
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-6239074-B1 | HERBICIDES, INSECTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-29 | — | — | US | disclosed |