⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8167038 | 0.93 | — | — | |
| SCHEMBL5610348 | 0.93 | — | — | |
| SCHEMBL5610377 | 0.92 | — | — | |
| SCHEMBL4192946 | 0.91 | — | — | |
| SCHEMBL4199321 | 0.91 | — | — | |
| SCHEMBL4192932 | 0.91 | — | — | |
| SCHEMBL5671880 | 0.86 | — | — | |
| SCHEMBL5861050 | 0.86 | — | — | |
| SCHEMBL5671868 | 0.86 | — | — | |
| SCHEMBL5862192 | 0.86 | — | — |
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-1005465-A2 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999007692-A2 | NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |