⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5625662 | 0.93 | CETP (0.37) | — | |
| SCHEMBL19178250 | 0.87 | — | — | |
| SCHEMBL5624411 | 0.85 | — | — | |
| SCHEMBL16969515 | 0.84 | CETP (0.36) | — | |
| SCHEMBL5623780 | 0.81 | CETP (0.37) | — | |
| SCHEMBL5625669 | 0.78 | CETP (0.37) | — | |
| SCHEMBL5624197 | 0.78 | CETP (0.37) | — | |
| SCHEMBL5628486 | 0.75 | CETP (0.36) | — | |
| SCHEMBL5625665 | 0.75 | CETP (0.36) | — | |
| SCHEMBL6093608 | 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 1 patent. 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 |