⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15609572 | 0.77 | NAAA (0.50) | — | |
| SCHEMBL1522063 | 0.76 | — | — | |
| SCHEMBL1678458 | 0.74 | — | — | |
| SCHEMBL16182004 | 0.74 | — | — | |
| SCHEMBL7877130 | 0.74 | — | — | |
| SCHEMBL290144 | 0.74 | — | — | |
| SCHEMBL3987516 | 0.72 | — | — | |
| SCHEMBL3739915 | 0.72 | EPHX1 (0.72) | — | |
| Hydrochloric Acid SCHEMBL22394902 | 0.72 | — | — | |
| SCHEMBL1653856 | 0.72 | KMT2A (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121661-A1 | BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008085316-A1 | BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2008-07-17 | — | — | WO | disclosed |