⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8028257 | 0.80 | — | — | |
| SCHEMBL2822016 | 0.80 | — | — | |
| SCHEMBL4879795 | 0.74 | — | — | |
| SCHEMBL10763335 | 0.73 | — | — | |
| SCHEMBL7007685 | 0.72 | — | — | |
| SCHEMBL6599247 | 0.71 | — | — | |
| SCHEMBL6599249 | 0.71 | — | — | |
| SCHEMBL6598165 | 0.71 | — | — | |
| SCHEMBL3866566 | 0.71 | — | — | |
| SCHEMBL6599248 | 0.71 | — | — |
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-2000000485-A1 | EPOTHILON DERIVATIVES, THEIR PREPARATION PROCESS, INTERMEDIATE PRODUCTS AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-01-06 | — | — | WO | disclosed |