⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL511710 | 0.72 | — | — | |
| SCHEMBL12057002 | 0.70 | EPHX1 (0.32) | — | |
| SCHEMBL9191419 | 0.69 | — | — | |
| SCHEMBL1792942 | 0.69 | — | — | |
| SCHEMBL4664906 | 0.69 | — | — | |
| SCHEMBL15105748 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL15105745 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL15105747 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL16391423 | 0.69 | — | — | |
| SCHEMBL15116597 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3526203-B1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2021-09-22 | — | — | EP | disclosed |
| WO-2018071313-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |