⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19816428 | 0.83 | PAOX (0.43) | — | |
| SCHEMBL4619439 | 0.80 | — | — | |
| SCHEMBL9795776 | 0.79 | GABRR1 (0.34) | — | |
| SCHEMBL8686876 | 0.78 | — | — | |
| SCHEMBL3717286 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL16335946 | 0.74 | GABRP (0.43) | — | |
| SCHEMBL9432403 | 0.73 | TSHR (0.45) | — | |
| SCHEMBL11126545 | 0.73 | MAPT (0.42) | — | |
| SCHEMBL13917759 | 0.73 | — | — | |
| SCHEMBL6711665 | 0.72 | — | — |
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-2456879-A1 | PROCESS FOR THE PREPARATION OF 1,4-BUTANEDIAMINE VIA N-ACYL OR N-GUANIDYL PROTECTED 1,4-BUTANEDIAMINE PRECURSORS | DSM IP Assets B.V. (NL) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009859-A1 | PROCESS FOR THE PREPARATION OF 1,4-BUTANEDIAMINE VIA N-ACYL OR N-GUANIDYL PROTECTED 1,4-BUTANEDIAMINE PRECURSORS | DSM IP ASSETS B.V. (NL) | 2011-01-27 | — | — | WO | disclosed |