⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1817865 | 0.76 | POLB (0.40) | — | |
| SCHEMBL25566288 | 0.64 | CYP2D6 (0.40) | — | |
| SCHEMBL23123018 | 0.62 | — | — | |
| SCHEMBL3379442 | 0.60 | SLC6A9 (0.46) | — | |
| SCHEMBL2633895 | 0.59 | USP2 (0.35) | — | |
| SCHEMBL860116 | 0.57 | USP2 (0.43) | — | |
| SCHEMBL1818729 | 0.56 | SLC6A9 (0.39) | — | |
| SCHEMBL22020566 | 0.55 | CHRM2 (0.31) | — | |
| SCHEMBL1819198 | 0.54 | POLB (0.39) | — | |
| SCHEMBL22049968 | 0.54 | CYP2D6 (0.44) | — |
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-1942893-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007053400-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2007-05-10 | — | — | WO | disclosed |