⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25626868 | 0.79 | ALOX5 (0.37) | — | |
| SCHEMBL28327491 | 0.74 | CYP1A2 (0.44) | — | |
| SCHEMBL28078263 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL18896334 | 0.73 | — | — | |
| SCHEMBL10486372 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL7597647 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL6324604 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL19399129 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL11659426 | 0.70 | EPHX1 (0.52) | — | |
| SCHEMBL28598543 | 0.70 | CYP1A2 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799832-B1 | Isopentenyl transferase sequences and methods of use | PIONEER HI BRED INT (US) | 2012-06-27 | — | — | EP | disclosed |