⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24529140 | 1.00 | — | — | |
| SCHEMBL29723748 | 1.00 | — | — | |
| SCHEMBL27180090 | 1.00 | — | — | |
| SCHEMBL21086704 | 0.73 | — | — | |
| SCHEMBL15424542 | 0.73 | — | — | |
| SCHEMBL27393709 | 0.73 | — | — | |
| SCHEMBL16135028 | 0.69 | — | — | |
| SCHEMBL26993337 | 0.66 | — | — | |
| SCHEMBL2397314 | 0.66 | — | — | |
| SCHEMBL16134927 | 0.65 | — | — |
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-2022132696-A1 | UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-06-23 | — | — | WO | disclosed |