⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19141786 | 1.00 | — | — | |
| SCHEMBL255326 | 1.00 | — | — | |
| SCHEMBL31058033 | 0.65 | — | — | |
| SCHEMBL3497380 | 0.64 | — | — | |
| SCHEMBL2115404 | 0.62 | — | — | |
| SCHEMBL15345992 | 0.62 | — | — | |
| SCHEMBL829978 | 0.62 | — | — | |
| SCHEMBL15346046 | 0.62 | — | — | |
| SCHEMBL12192010 | 0.60 | — | — | |
| SCHEMBL2226820 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012031237-A1 | FUSED TRICYCLIC ETHER CARBAMATES AND THEIR USE | PURDUE RESEARCH FOUNDATION (US) | 2012-03-08 | — | — | WO | disclosed |