⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3416133 | 0.74 | AGBL2 (0.39) | — | |
| SCHEMBL29738303 | 0.64 | NPSR1 (0.34) | — | |
| SCHEMBL25634556 | 0.64 | NPSR1 (0.34) | — | |
| SCHEMBL29738304 | 0.64 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL28674890 | 0.64 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL2859258 | 0.64 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7723729 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL7723727 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL742802 | 0.62 | HDAC1 (0.35) | — | |
| SCHEMBL1634977 | 0.61 | AGBL2 (0.39) | — |
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-2381772-B1 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES | CHIRAL QUEST INC (US) | 2016-08-24 | — | — | EP | disclosed |