⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5624206 | 0.93 | CETP (0.36) | — | |
| SCHEMBL5629586 | 0.89 | CETP (0.35) | — | |
| SCHEMBL5624926 | 0.85 | — | — | |
| SCHEMBL5628490 | 0.84 | CETP (0.36) | — | |
| SCHEMBL19179892 | 0.83 | — | — | |
| SCHEMBL19178251 | 0.82 | — | — | |
| SCHEMBL16969511 | 0.80 | — | — | |
| SCHEMBL6091240 | 0.80 | CETP (0.34) | — | |
| SCHEMBL5624109 | 0.78 | GRIA2 (0.32) | — | |
| SCHEMBL5624197 | 0.78 | CETP (0.37) | — |
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-1848430-B1 | NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS | Dr Reddys Laboratories Ltd (IN) | 2017-08-02 | — | — | EP | disclosed |
| US-9040558-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2015-05-26 | — | — | US | disclosed |
| US-20060178514-A1 | Novel benzylamine derivatives as CETP inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2006-08-10 | — | — | US | disclosed |