⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5624411 | 0.87 | — | — | |
| SCHEMBL19178250 | 0.86 | — | — | |
| SCHEMBL19178251 | 0.86 | — | — | |
| SCHEMBL5623784 | 0.83 | CETP (0.36) | — | |
| SCHEMBL5624926 | 0.83 | — | — | |
| SCHEMBL6090990 | 0.82 | — | — | |
| SCHEMBL5623780 | 0.80 | CETP (0.37) | — | |
| SCHEMBL5623788 | 0.79 | CETP (0.36) | — | |
| SCHEMBL19180155 | 0.77 | — | — | |
| SCHEMBL5624234 | 0.75 | CETP (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9765030-B2 | Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-09-19 | — | — | US | disclosed |
| US-20140134235-A1 | NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS | DR. REDDY'S LABORATORIES LTD. (IN) | 2014-05-15 | — | — | US | disclosed |
| US-8604055-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2013-12-10 | — | — | US | disclosed |
| US-20070015758-A1 | Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2007-01-18 | — | — | US | disclosed |