⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6494912 | 1.00 | — | — | |
| SCHEMBL6504438 | 1.00 | — | — | |
| SCHEMBL5746564 | 1.00 | — | — | |
| SCHEMBL6494908 | 1.00 | — | — | |
| SCHEMBL5746258 | 1.00 | — | — | |
| SCHEMBL5746566 | 1.00 | — | — | |
| SCHEMBL9565291 | 0.80 | — | — | |
| SCHEMBL9565293 | 0.80 | — | — | |
| SCHEMBL11861273 | 0.77 | GRIK1 (0.45) | — | |
| SCHEMBL11861283 | 0.77 | GRIK1 (0.45) | — |
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-6867333-B2 | EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2005-03-15 | — | — | US | disclosed |