⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22144582 | 0.81 | — | — | |
| SCHEMBL941641 | 0.54 | TSHR (0.41) | — | |
| SCHEMBL7760124 | 0.53 | TSHR (0.40) | — | |
| SCHEMBL6951527 | 0.51 | TSHR (0.38) | — | |
| SCHEMBL20402375 | 0.47 | — | — | |
| SCHEMBL8415882 | 0.47 | TSHR (0.48) | — | |
| SCHEMBL8413794 | 0.47 | TSHR (0.48) | — | |
| SCHEMBL3877151 | 0.47 | TSHR (0.48) | — | |
| SCHEMBL14612064 | 0.46 | — | — | |
| SCHEMBL21325387 | 0.45 | TSHR (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11345668-B2 | Formation of N-protected 3,6-bis-(4-aminobutyl)-2,5-diketopiperazine through a cyclic α-N-protected amino ester | MANNKIND CORP. (US) | 2022-05-31 | — | — | US | disclosed |
| US-20210107880-A1 | FORMATION OF N-PROTECTED 3,6-BIS-(4-AMINOBUTYL)-2,5-DIKETOPIPERAZINE THROUGH A CYCLIC ALPHA-N-PROTECTED AMINO ESTER | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2021-04-15 | — | — | US | disclosed |
| US-10640471-B2 | Formation of N-protected 3,6-bis-(4-aminoalkyl)-2,5,diketopiperazine | MANNKIND, CORP. (US) | 2020-05-05 | — | — | US | disclosed |
| US-10577331-B2 | Formation of N-protected 3,6-bis-(4-aminobutyl)-2,5-diketopiperazine through a cyclic alpha-N-protected amino ester intermediate | MANNKIND, CORP. (US) | 2020-03-03 | — | — | US | disclosed |