⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2820698 | 0.81 | — | — | |
| SCHEMBL10850437 | 0.74 | — | — | |
| SCHEMBL10850432 | 0.74 | — | — | |
| SCHEMBL10763335 | 0.74 | — | — | |
| SCHEMBL8197214 | 0.72 | — | — | |
| SCHEMBL6599247 | 0.72 | — | — | |
| SCHEMBL6598165 | 0.72 | — | — | |
| SCHEMBL8026137 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL6599249 | 0.72 | — | — | |
| SCHEMBL3866566 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1276740-A2 | NOVEL EPOTHILONE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001081342-A2 | NOVEL EPOTHILONE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-11-01 | — | — | WO | disclosed |