⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17156495 | 0.80 | — | — | |
| SCHEMBL7971347 | 0.74 | — | — | |
| SCHEMBL7945419 | 0.70 | — | — | |
| SCHEMBL18938678 | 0.65 | — | — | |
| SCHEMBL1225773 | 0.64 | — | — | |
| SCHEMBL406466 | 0.62 | — | — | |
| SCHEMBL18938658 | 0.62 | — | — | |
| SCHEMBL7171869 | 0.60 | — | — | |
| SCHEMBL17156492 | 0.60 | — | — | |
| SCHEMBL18938643 | 0.60 | — | — |
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-6699654-B1 | USING INHIBITORS OF PLANT-LIKE METABOLIC PATHWAYS (NOT ASSOCIATED WITH ANIMALS, NOT ENCODED IN THE PLASTID GENOME, NOT INCLUDING PSBA OR PPI PHOSPHOFRUCTOKINASE) TO DEVELOP THE PARASITICIDE; GABACULINE AND SULFADIAZINE | MRJ TRUST C/O MARK E. RUST | 2004-03-02 | — | — | US | disclosed |