⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56438 | 0.82 | CTSK (0.50) | — | |
| SCHEMBL1914295 | 0.81 | — | — | |
| SCHEMBL27181601 | 0.81 | — | — | |
| SCHEMBL13101176 | 0.81 | — | — | |
| SCHEMBL1643969 | 0.81 | — | — | |
| SCHEMBL3990275 | 0.81 | — | — | |
| SCHEMBL23288380 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL16103901 | 0.79 | — | — | |
| SCHEMBL24866666 | 0.79 | — | — | |
| SCHEMBL14562841 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456879-B1 | PROCESS FOR PREPARING 1,4-BUTANEDIAMINE VIA N-PROTECTED 1,4-BUTANEDIAMINE | DSM IP ASSETS BV (NL) | 2018-04-04 | — | — | EP | disclosed |
| CN-105132486-A | PROCESS FOR THE PREPARATION OF 1,4-BUTANEDIAMINE VIA N-ACYL OR N-GUANIDYL PROTECTED 1,4-BUTANEDIAMINE PRECURSORS | DSM IP ASSETS BV | 2015-12-09 | — | — | CN | disclosed |
| CN-102471789-B | Process for the preparation of 1, 4-butanediamine via N-acyl or N-guanidino protected 1, 4-butanediamine precursors | DSM IP ASSETS B.V. (NL) | 2015-08-19 | — | — | CN | disclosed |
| US-8999680-B2 | Preparation of 1,4-diaminobutane | DSM IP ASSETS B.V. (NL) | 2015-04-07 | — | — | US | disclosed |
| US-20120190087-A1 | PREPARATION OF 1,4-DIAMINOBUTANE | ENVALIOR B.V. (NL) | 2012-07-26 | — | — | US | disclosed |
| 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 |
| CN-102471789-A | Process for the preparation of 1, 4-butanediamine via N-acyl or N-guanidino protected 1, 4-butanediamine precursors | DSM IP ASSETS BV | 2012-05-23 | — | — | CN | 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 |