⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12210705 | 1.00 | — | — | |
| SCHEMBL1016267 | 0.71 | — | — | |
| SCHEMBL2105401 | 0.69 | — | — | |
| SCHEMBL1792609 | 0.69 | — | — | |
| SCHEMBL3115577 | 0.67 | — | — | |
| SCHEMBL13965513 | 0.65 | — | — | |
| SCHEMBL1787119 | 0.65 | — | — | |
| SCHEMBL5822575 | 0.65 | — | — | |
| SCHEMBL12083861 | 0.65 | — | — | |
| SCHEMBL751386 | 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 |
|---|---|---|---|---|---|---|---|
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |