⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17688348 | 0.82 | — | — | |
| SCHEMBL1144188 | 0.82 | — | — | |
| SCHEMBL17688345 | 0.82 | — | — | |
| SCHEMBL25407819 | 0.82 | — | — | |
| SCHEMBL17688343 | 0.82 | — | — | |
| SCHEMBL23908691 | 0.82 | — | — | |
| SCHEMBL17688346 | 0.82 | — | — | |
| SCHEMBL24013 | 0.82 | — | — | |
| SCHEMBL21351608 | 0.82 | — | — | |
| SCHEMBL80404 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0219154-B1 | FURYL COMPOUNDS, THEIR USE AS FUNGICIDES AND THEIR PREPARATION | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-11-13 | — | — | EP | disclosed |
| EP-0219154-A2 | Furyl compounds, their use as fungicides and their preparation | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-04-22 | — | — | EP | disclosed |