⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5229466 | 0.91 | — | — | |
| SCHEMBL6139430 | 0.91 | — | — | |
| SCHEMBL2822032 | 0.87 | — | — | |
| SCHEMBL2822030 | 0.87 | — | — | |
| SCHEMBL5226725 | 0.85 | IDH1 (0.31) | — | |
| SCHEMBL5226730 | 0.85 | IDH1 (0.31) | — | |
| SCHEMBL5229660 | 0.85 | IDH1 (0.31) | — | |
| SCHEMBL5861469 | 0.84 | HDAC1 (0.31) | — | |
| SCHEMBL5227610 | 0.79 | IDH1 (0.31) | — | |
| SCHEMBL5227605 | 0.79 | IDH1 (0.31) | — |
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-6930102-B2 | 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use | SCHERING AG (DE) | 2005-08-16 | — | — | US | disclosed |
| US-20040014978-A1 | 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use | SCHERING AG (DE) | 2004-01-22 | — | — | US | disclosed |
| US-6610736-B1 | Antitumor | SCHERING AG (DE) | 2003-08-26 | — | — | US | disclosed |