⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8270869 | 1.00 | — | — | |
| SCHEMBL24450286 | 0.84 | — | — | |
| SCHEMBL1362456 | 0.78 | — | — | |
| SCHEMBL8607493 | 0.74 | — | — | |
| SCHEMBL19002827 | 0.72 | — | — | |
| SCHEMBL14862011 | 0.72 | — | — | |
| SCHEMBL13930303 | 0.72 | — | — | |
| SCHEMBL17724661 | 0.72 | — | — | |
| SCHEMBL259931 | 0.72 | — | — | |
| SCHEMBL7489980 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015048268-A1 | SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2015-04-02 | — | — | WO | disclosed |