⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6598414 | 1.00 | — | — | |
| SCHEMBL7690402 | 1.00 | — | — | |
| SCHEMBL6598411 | 1.00 | — | — | |
| SCHEMBL7074400 | 1.00 | — | — | |
| SCHEMBL6598610 | 0.91 | — | — | |
| SCHEMBL7068702 | 0.91 | — | — | |
| SCHEMBL7091778 | 0.91 | — | — | |
| SCHEMBL7068708 | 0.91 | — | — | |
| SCHEMBL12250853 | 0.91 | — | — | |
| SCHEMBL16796923 | 0.91 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6605726-B1 | Method for producing epothilone B and derivatives, and intermediate products for this method | SCHERING AG (DE) | 2003-08-12 | — | — | US | claimed |
| 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 |