⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17767264 | 0.64 | — | — | |
| SCHEMBL14325617 | 0.60 | — | — | |
| SCHEMBL14325623 | 0.60 | — | — | |
| SCHEMBL7114751 | 0.60 | — | — | |
| SCHEMBL10702383 | 0.56 | — | — | |
| SCHEMBL697309 | 0.56 | — | — | |
| SCHEMBL63452 | 0.54 | EPHX1 (0.39) | — | |
| SCHEMBL11007834 | 0.53 | — | — | |
| SCHEMBL9714888 | 0.53 | — | — | |
| SCHEMBL11007831 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090131498-A1 | Enantioselective Synthesis of Merrilactone and Its Analogs | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-05-21 | — | — | US | disclosed |