⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20072176 | 0.85 | PIK3CB (0.30) | — | |
| SCHEMBL21644336 | 0.85 | PIK3CB (0.30) | — | |
| SCHEMBL20072177 | 0.85 | PIK3CB (0.30) | — | |
| SCHEMBL23838106 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL20071865 | 0.79 | PTGER4 (0.32) | — | |
| SCHEMBL23838112 | 0.78 | PTGER4 (0.30) | — | |
| SCHEMBL20072009 | 0.76 | GPR119 (0.38) | — | |
| SCHEMBL21644381 | 0.76 | PTGER4 (0.33) | — | |
| SCHEMBL21644403 | 0.74 | PTGER4 (0.32) | — | |
| SCHEMBL23838117 | 0.74 | ADRA1A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |