⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3447667 | 1.00 | — | — | |
| SCHEMBL3447297 | 0.86 | — | — | |
| SCHEMBL2071654 | 0.86 | — | — | |
| SCHEMBL3446978 | 0.79 | — | — | |
| SCHEMBL5743955 | 0.79 | — | — | |
| SCHEMBL6599047 | 0.79 | — | — | |
| SCHEMBL6599051 | 0.79 | — | — | |
| SCHEMBL16796805 | 0.77 | — | — | |
| SCHEMBL2070144 | 0.77 | — | — | |
| SCHEMBL24387294 | 0.75 | — | — |
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-7893268-B2 | Epithiolone analogues | UNIVERSITY OF TOLEDO (US) | 2011-02-22 | — | — | US | disclosed |
| US-20090258904-A1 | Epithiolone Analogues | UNIVERSITY OF TOLEDO | 2009-10-15 | — | — | US | disclosed |
| WO-2007015929-A2 | EPOTHILONE ANALOGUES | UNIVERSITY OF TOLEDO (US) | 2007-02-08 | — | — | WO | disclosed |