⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7303988 | 0.80 | — | — | |
| SCHEMBL10053301 | 0.77 | — | — | |
| SCHEMBL2736682 | 0.77 | — | — | |
| SCHEMBL12834886 | 0.77 | — | — | |
| SCHEMBL8744974 | 0.77 | — | — | |
| SCHEMBL27412346 | 0.77 | — | — | |
| SCHEMBL5235319 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL7430890 | 0.75 | — | — | |
| SCHEMBL2253209 | 0.73 | NOS3 (0.50) | — | |
| SCHEMBL6136620 | 0.73 | NOS3 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834404-A | Substituted bicycloheptanedione derivative and herbicide | NIPPON SODA CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0791572-A1 | SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE | NIPPON SODA CO., LTD. (JP) | 1997-08-27 | — | — | EP | disclosed |
| EP-0628026-B1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AG (DE) | 1997-01-22 | — | — | EP | disclosed |