⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8487630 | 0.67 | — | — | |
| SCHEMBL24496615 | 0.65 | — | — | |
| SCHEMBL6468135 | 0.62 | — | — | |
| SCHEMBL6468139 | 0.62 | — | — | |
| SCHEMBL1149048 | 0.62 | — | — | |
| SCHEMBL11537390 | 0.62 | — | — | |
| SCHEMBL1003267 | 0.53 | — | — | |
| SCHEMBL2346731 | 0.53 | — | — | |
| SCHEMBL3236524 | 0.53 | ALDH1A1 (0.33) | — | |
| SCHEMBL6842946 | 0.52 | — | — |
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-5962436-A | AGRICULTURE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0810997-A1 | FUNGICIDAL CYCLIC AMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026191-A1 | FUNGICIDAL CYCLIC AMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-29 | — | — | WO | disclosed |