⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19321595 | 0.72 | — | — | |
| SCHEMBL18603953 | 0.70 | — | — | |
| SCHEMBL27612088 | 0.69 | — | — | |
| SCHEMBL9614906 | 0.68 | — | — | |
| SCHEMBL28766742 | 0.68 | — | — | |
| SCHEMBL3123432 | 0.65 | — | — | |
| SCHEMBL28856237 | 0.60 | — | — | |
| SCHEMBL8930827 | 0.59 | — | — | |
| SCHEMBL30859280 | 0.58 | — | — | |
| SCHEMBL22129738 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130116203-A1 | ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2013-05-09 | — | — | US | disclosed |
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| WO-2008008954-A2 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-17 | — | — | WO | disclosed |