⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17589372 | 0.83 | AKR1B1 (0.35) | — | |
| SCHEMBL20256972 | 0.83 | AKR1B1 (0.35) | — | |
| SCHEMBL7675790 | 0.77 | — | — | |
| SCHEMBL17309109 | 0.76 | AKR1B1 (0.33) | — | |
| SCHEMBL9372836 | 0.76 | — | — | |
| SCHEMBL9146236 | 0.75 | — | — | |
| SCHEMBL14845625 | 0.74 | AKR1B1 (0.33) | — | |
| SCHEMBL3503633 | 0.74 | — | — | |
| SCHEMBL9070722 | 0.74 | — | — | |
| SCHEMBL19660577 | 0.73 | AKR1B1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2392580-A1 | 2'-fluoronucleosides | Emory University (US) | 2011-12-07 | — | — | EP | disclosed |
| EP-2390257-A1 | 2'-fluoronucleosides | Emory University (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-0605078-B1 | 5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo alpha heptalene derivative | OHGEN RESEARCH LAB LTD (JP) | 1997-02-05 | — | — | EP | disclosed |
| EP-0605078-A1 | 5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo alpha heptalene derivative | OHGEN RESEARCH LABORATORIES LTD., (JP) | 1994-07-06 | — | — | EP | disclosed |
| US-5326786-A | Antimetastasis and anticarcinogenic agents; leukemia | OHGEN RESEARCH LABORATORIES LTD. (JP) | 1994-07-05 | — | — | US | disclosed |