⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6895951 | 0.74 | — | — | |
| SCHEMBL1457168 | 0.74 | — | — | |
| SCHEMBL2040306 | 0.72 | — | — | |
| SCHEMBL15385106 | 0.70 | — | — | |
| SCHEMBL27603964 | 0.69 | — | — | |
| SCHEMBL27976500 | 0.69 | — | — | |
| SCHEMBL17261552 | 0.67 | — | — | |
| SCHEMBL17207566 | 0.67 | MIF (0.52) | — | |
| SCHEMBL2040423 | 0.65 | — | — | |
| SCHEMBL1577213 | 0.64 | KEAP1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9597307-B2 | Sulforaphane for treating or reducing insulin resistance of the liver | ROSENGREN ANDERS (SE) | 2017-03-21 | — | — | US | disclosed |
| US-20150290164-A1 | Sulforaphane for Treating or Reducing Insulin Resistance of the Liver | AXELSSON ANNIKA (US) | 2015-10-15 | — | — | US | disclosed |