⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21746679 | 0.78 | — | — | |
| SCHEMBL21745976 | 0.76 | — | — | |
| SCHEMBL17623465 | 0.71 | — | — | |
| SCHEMBL17213381 | 0.71 | — | — | |
| SCHEMBL24014954 | 0.70 | — | — | |
| SCHEMBL24015052 | 0.69 | — | — | |
| SCHEMBL19121054 | 0.69 | — | — | |
| SCHEMBL21102074 | 0.67 | — | — | |
| SCHEMBL14414120 | 0.67 | — | — | |
| SCHEMBL5028216 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3544972-B1 | HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS | PFIZER (US) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2018096510-A1 | HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS | PFIZER INC. (US) | 2018-05-31 | — | — | WO | disclosed |