⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL338455 | 0.79 | — | — | |
| SCHEMBL31180013 | 0.79 | — | — | |
| SCHEMBL669333 | 0.77 | — | — | |
| SCHEMBL31356514 | 0.77 | — | — | |
| SCHEMBL30456988 | 0.75 | — | — | |
| SCHEMBL1114146 | 0.75 | — | — | |
| SCHEMBL30613412 | 0.75 | — | — | |
| SCHEMBL10161873 | 0.75 | — | — | |
| SCHEMBL6207922 | 0.75 | — | — | |
| SCHEMBL26658795 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008083070-A1 | CRF1 RECEPTOR LIGANDS COMPRISING FUSED BICYCLIC HETEROARYL MOIETIES | NEUROGEN CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |