⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29094576 | 0.86 | KDM1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL31382536 | 0.84 | KDM1A (0.30) | — | |
| SCHEMBL31621313 | 0.83 | — | — | |
| SCHEMBL6886485 | 0.78 | — | — | |
| SCHEMBL4844125 | 0.76 | CYP19A1 (0.33) | — | |
| SCHEMBL670786 | 0.75 | — | — | |
| SCHEMBL31621314 | 0.75 | — | — | |
| SCHEMBL16050884 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL320981 | 0.73 | SLC6A2 (0.32) | — | |
| SCHEMBL23578975 | 0.73 | — | — |
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-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 |
| US-10961215-B2 | N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2021-03-30 | — | — | US | disclosed |
| US-20200039951-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-02-06 | — | — | US | disclosed |