⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10328064 | 1.00 | — | — | |
| SCHEMBL18536367 | 1.00 | — | — | |
| SCHEMBL19493420 | 1.00 | — | — | |
| SCHEMBL22077666 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL469670 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL12466973 | 0.71 | — | — | |
| SCHEMBL1863374 | 0.69 | — | — | |
| SCHEMBL15309066 | 0.69 | — | — | |
| SCHEMBL15031196 | 0.68 | — | — | |
| SCHEMBL13271938 | 0.68 | — | — |
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-2009154276-A1 | CRYSTAL OF SPIROKETAL DERIVATIVE, AND PROCESS FOR PRODUCTION THEREOF | 中外製薬株式会社 (JP) | 2009-12-23 | — | — | WO | disclosed |