⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL384060 | 0.80 | — | — | |
| SCHEMBL15602824 | 0.78 | — | — | |
| SCHEMBL14789351 | 0.76 | — | — | |
| SCHEMBL1137681 | 0.76 | — | — | |
| SCHEMBL12216938 | 0.76 | — | — | |
| SCHEMBL8719204 | 0.72 | MAPT (0.37) | — | |
| SCHEMBL385464 | 0.72 | — | — | |
| SCHEMBL621700 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL621701 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL30754357 | 0.67 | CES2 (0.36) | — |
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 |