⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1835953 | 1.00 | — | — | |
| SCHEMBL10455308 | 1.00 | — | — | |
| SCHEMBL4072000 | 0.78 | — | — | |
| SCHEMBL3056223 | 0.76 | — | — | |
| SCHEMBL3056222 | 0.76 | — | — | |
| SCHEMBL3061777 | 0.76 | — | — | |
| SCHEMBL11494381 | 0.75 | GPR84 (0.34) | — | |
| SCHEMBL6035659 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL23687904 | 0.74 | MMP1 (0.38) | — | |
| SCHEMBL1206494 | 0.74 | MMP1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0210589-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE ALPHA-HALOGEN KETALS | ZAMBON S.p.A. (IT) | 1990-09-26 | — | — | EP | disclosed |
| US-4861903-A | Intermediates for preparing optically active carboxylic acids | ZAMBON SPA (IT) | 1989-08-29 | — | — | US | disclosed |