⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27746554 | 0.71 | — | — | |
| SCHEMBL20042195 | 0.63 | REN (0.33) | — | |
| SCHEMBL12188670 | 0.62 | KMT2A (0.32) | — | |
| SCHEMBL8290960 | 0.61 | KDM4E (0.44) | — | |
| SCHEMBL5240401 | 0.61 | KDM4E (0.44) | — | |
| SCHEMBL5242769 | 0.61 | KDM4E (0.44) | — | |
| SCHEMBL5242760 | 0.61 | KDM4E (0.44) | — | |
| SCHEMBL27767339 | 0.60 | KMT2A (0.45) | — | |
| SCHEMBL15445233 | 0.60 | SLC18A2 (0.42) | — | |
| SCHEMBL28044031 | 0.59 | MGLL (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101490035-B | Amino-piperidine derivatives as CETP inhibitors | NOVARTIS AG | 2013-02-13 | — | — | CN | disclosed |
| CN-101490035-A | Amino-piperidine derivatives as CETP inhibitors | NOVARTIS AG (CH) | 2009-07-22 | — | — | CN | disclosed |