⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6920477 | 0.70 | — | — | |
| SCHEMBL3293708 | 0.69 | — | — | |
| SCHEMBL19622556 | 0.64 | ESR1 (0.38) | — | |
| SCHEMBL12740601 | 0.64 | GABRA1 (0.35) | — | |
| SCHEMBL11223596 | 0.63 | — | — | |
| SCHEMBL12740587 | 0.62 | KDM4E (0.44) | — | |
| SCHEMBL25093855 | 0.61 | GRIN2D (0.39) | — | |
| SCHEMBL179270 | 0.60 | MMP1 (0.44) | — | |
| SCHEMBL5174158 | 0.57 | — | — | |
| SCHEMBL1462968 | 0.57 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| US-9101628-B2 | Methods and composition of treating a flaviviridae family viral infection | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2015-08-11 | — | — | US | disclosed |
| US-20100028299-A1 | Methods and compositions of treating a flaviviridae family viral infection | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2010-02-04 | — | — | US | disclosed |