⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15907399 | 0.87 | — | — | |
| SCHEMBL14509762 | 0.80 | — | — | |
| SCHEMBL21446952 | 0.79 | GRM4 (0.34) | — | |
| SCHEMBL357887 | 0.79 | — | — | |
| SCHEMBL1678167 | 0.78 | — | — | |
| SCHEMBL18959164 | 0.78 | — | — | |
| SCHEMBL23371063 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL27748149 | 0.76 | — | — | |
| SCHEMBL25121482 | 0.76 | — | — | |
| SCHEMBL19442749 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018068297-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| EP-3287504-A1 | ADDITIVE COMPOSITION SUITABLE FOR VISCOSITY REDUCTION OF OIL-BASED DRILLING FLUID, OIL-BASED DRILLING FLUID AND USE THEREOF | China University of Petroleum (Beijing) (CN) | 2018-02-28 | — | — | EP | disclosed |