⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23464916 | 0.78 | NPSR1 (0.34) | — | |
| SCHEMBL762176 | 0.69 | — | — | |
| SCHEMBL13258424 | 0.69 | — | — | |
| SCHEMBL5993210 | 0.67 | — | — | |
| SCHEMBL6637787 | 0.67 | — | — | |
| SCHEMBL6192348 | 0.67 | — | — | |
| SCHEMBL13859000 | 0.67 | — | — | |
| SCHEMBL20016687 | 0.67 | — | — | |
| SCHEMBL20460993 | 0.63 | HPGD (0.40) | — | |
| SCHEMBL11341776 | 0.63 | — | — |
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-2021113263-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-06-10 | — | — | WO | disclosed |