⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6369262 | 1.00 | — | — | |
| SCHEMBL10291349 | 0.82 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL31281832 | 0.79 | GRIK1 (0.35) | — | |
| SCHEMBL10290622 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11811608 | 0.76 | — | — | |
| SCHEMBL10499910 | 0.76 | — | — | |
| SCHEMBL9139071 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL9139062 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL10499893 | 0.76 | — | — | |
| SCHEMBL11811617 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016864-A1 | CONJUGATED NITRO ALKENE ANTICANCER AGENTS BASED ON ISOPRENOID METABOLISM | THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) | 2005-02-24 | — | — | WO | claimed |
| US-20050026812-A1 | Conjugated nitro alkene anticancer agents based on isoprenoid metabolism | ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) | 2005-02-03 | — | — | US | claimed |
| US-20130125987-A1 | PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR BATTERY CONTAINING THE SAME | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2013-05-23 | — | — | US | disclosed |
| US-20130125987-A1 | PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR BATTERY CONTAINING THE SAME | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2013-05-23 | — | — | US | disclosed |
| WO-2005016864-A1 | CONJUGATED NITRO ALKENE ANTICANCER AGENTS BASED ON ISOPRENOID METABOLISM | THE ARIZONA DISEASE CONTROL RESEARCH COMMISSION (US) | 2005-02-24 | — | — | WO | disclosed |