⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6301888 | 0.93 | OPRM1 (0.48) | — | |
| SCHEMBL11575019 | 0.91 | GRIK1 (0.48) | — | |
| SCHEMBL11572928 | 0.91 | GRIK1 (0.48) | — | |
| SCHEMBL6307669 | 0.91 | GRIK1 (0.48) | — | |
| SCHEMBL30707879 | 0.84 | — | — | |
| SCHEMBL1146614 | 0.84 | — | — | |
| SCHEMBL3101060 | 0.84 | — | — | |
| SCHEMBL28472462 | 0.82 | — | — | |
| SCHEMBL23777975 | 0.81 | SLC1A2 (0.43) | — | |
| SCHEMBL8024764 | 0.80 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4346902-A | — | — | None | — | — | JP | disclosed |
| US-6977297-B1 | Methods and means for modification of glucosinolates in plants | PLANT BIOSCIENCE LIMITED (GB) | 2005-12-20 | — | — | US | disclosed |
| EP-1032691-A1 | METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS | Plant Bioscience Limited (GB) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999027120-A1 | METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS | PLANT BIOSCIENCE LIMITED (GB) | 1999-06-03 | — | — | WO | disclosed |
| JP-H04346902-A | FRESHNESS-RETAINING AGENT FOR CUT FLOWER | AJINOMOTO CO INC | 1992-12-02 | — | — | JP | disclosed |
| EP-0416097-A1 | PROCESS FOR PRODUCING TROPANE ALKALOIDS | SEITAIKINOU RIYOU KAGAKUHIN SHINSEIZOUGIJUTSU KENKYU KUMIAI (JP) | 1991-03-13 | — | — | EP | disclosed |