⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21779003 | 0.83 | — | — | |
| SCHEMBL20706546 | 0.71 | — | — | |
| SCHEMBL1005353 | 0.70 | — | — | |
| SCHEMBL23974015 | 0.60 | HRH3 (0.35) | — | |
| SCHEMBL13644716 | 0.60 | HRH3 (0.35) | — | |
| SCHEMBL2872608 | 0.57 | — | — | |
| SCHEMBL13428066 | 0.57 | — | — | |
| SCHEMBL1828632 | 0.57 | — | — | |
| SCHEMBL13754182 | 0.56 | HRH3 (0.33) | — | |
| SCHEMBL6948618 | 0.56 | HRH3 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10640471-B2 | Formation of N-protected 3,6-bis-(4-aminoalkyl)-2,5,diketopiperazine | MANNKIND, CORP. (US) | 2020-05-05 | — | — | US | disclosed |
| US-20190169135-A1 | Formation of N-Protected 3,6-bis-(4-aminoalkyl)-2,5,diketopiperazine | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2019-06-06 | — | — | US | disclosed |