⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11144012 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11145426 | 0.97 | — | — | |
| SCHEMBL174163 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL547389 | 0.78 | — | — | |
| SCHEMBL30978336 | 0.78 | — | — | |
| SCHEMBL504520 | 0.73 | — | — | |
| SCHEMBL2015578 | 0.73 | — | — | |
| SCHEMBL11141996 | 0.72 | — | — | |
| SCHEMBL8606471 | 0.71 | GRIK1 (0.32) | — | |
| SCHEMBL2593057 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230391795-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC (US) | 2023-12-07 | — | — | US | disclosed |
| EP-4236938-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-09-06 | — | — | EP | disclosed |
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |
| EP-0025370-B1 | PREPARATION OF FLUORINATED METHYLAMINOALKANOIC ACIDS, PROCESS INTERMEDIATES AND THEIR PREPARATION | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-05-11 | — | — | EP | disclosed |
| US-4353828-A | Preparation of fluorinated methyl aminoalkanoic acids and novel process intermediates | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-10-12 | — | — | US | disclosed |
| EP-0025370-A2 | Preparation of fluorinated methylaminoalkanoic acids, process intermediates and their preparation | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-03-18 | — | — | EP | disclosed |