⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5334903 | 1.00 | — | — | |
| SCHEMBL25332113 | 0.75 | — | — | |
| SCHEMBL22561649 | 0.75 | TRPA1 (0.46) | — | |
| SCHEMBL432818 | 0.75 | — | — | |
| SCHEMBL432819 | 0.75 | — | — | |
| SCHEMBL5575755 | 0.74 | — | — | |
| SCHEMBL11382641 | 0.74 | — | — | |
| SCHEMBL19822549 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL2937706 | 0.72 | TRPA1 (0.43) | — | |
| SCHEMBL25331937 | 0.72 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116019795-A | Application of sulforaphane in preparing anti-aging medicine | 北京化工大学 | 2023-04-28 | — | — | CN | disclosed |
| JP-2007008921-A | METHOD FOR PRODUCING 4-METHYLTHIO-3-BUTENYL ISOTHIOCYANATE AND ITS INTERMEDIATE OF SYNTHESIS | KUREHA CORP | 2007-01-18 | — | — | JP | disclosed |