⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2556789 | 0.73 | — | — | |
| Propane SCHEMBL28242754 | 0.70 | — | — | |
| Bromide SCHEMBL28103692 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6188329 | 0.70 | — | — | |
| Water SCHEMBL4246169 | 0.70 | — | — | |
| SCHEMBL28098947 | 0.69 | — | — | |
| Chloromethane SCHEMBL16291397 | 0.67 | — | — | |
| Bicarbonate SCHEMBL28272624 | 0.67 | GAA (0.41) | — | |
| SCHEMBL7034360 | 0.67 | — | — | |
| SCHEMBL54204 | 0.67 | — | — |
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-6713629-B2 | PLANT FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2004-03-30 | — | — | US | disclosed |