⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16155275 | 0.84 | — | — | |
| SCHEMBL3883063 | 0.78 | — | — | |
| SCHEMBL17375326 | 0.75 | CA2 (0.32) | — | |
| SCHEMBL6705355 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL16155250 | 0.72 | — | — | |
| SCHEMBL17682051 | 0.72 | — | — | |
| SCHEMBL1658577 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL13079462 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL15524499 | 0.71 | — | — | |
| SCHEMBL15524497 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030220503-A1 | Hydroxylation, carboxylation, cyclization, esterification, epoxidation, etherification | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-11-27 | — | — | US | disclosed |
| US-6605726-B1 | Method for producing epothilone B and derivatives, and intermediate products for this method | SCHERING AG (DE) | 2003-08-12 | — | — | US | disclosed |
| EP-1121364-B1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES THEREOF | SCHERING AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| EP-1121364-A1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD | Schering Aktiengesellschaft (DE) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023452-A1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-04-27 | — | — | WO | disclosed |