⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11311853 | 0.88 | CDC25B (0.31) | — | |
| SCHEMBL8840778 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL30577253 | 0.77 | — | — | |
| SCHEMBL21433570 | 0.73 | — | — | |
| SCHEMBL126239 | 0.72 | CDC25B (0.33) | — | |
| SCHEMBL28999522 | 0.70 | — | — | |
| SCHEMBL11358330 | 0.69 | CDC25B (0.30) | — | |
| SCHEMBL30632239 | 0.66 | — | — | |
| SCHEMBL10533241 | 0.65 | — | — | |
| SCHEMBL10537369 | 0.65 | — | — |
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-1300403-A1 | Process for the manufacture of hypoxyxylerone derivatives | Aventis Pharma S.A. (FR) | 2003-04-09 | — | — | EP | disclosed |