⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15247887 | 0.97 | GPR84 (0.39) | — | |
| SCHEMBL16003068 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL6698614 | 0.80 | — | — | |
| SCHEMBL19257481 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL4215862 | 0.79 | — | — | |
| SCHEMBL1453573 | 0.79 | — | — | |
| SCHEMBL75521 | 0.78 | GPR84 (0.38) | — | |
| SCHEMBL8070766 | 0.77 | CES2 (0.44) | — | |
| SCHEMBL11461398 | 0.77 | CES2 (0.44) | — | |
| SCHEMBL1454645 | 0.77 | ALDH1A1 (0.33) | — |
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-2463282-A1 | 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis | Novartis AG (CH) | 2012-06-13 | — | — | EP | disclosed |