⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12880735 | 0.77 | — | — | |
| SCHEMBL16215025 | 0.77 | — | — | |
| SCHEMBL16207919 | 0.77 | PGD (0.31) | — | |
| SCHEMBL4327793 | 0.77 | PGD (0.31) | — | |
| SCHEMBL1222796 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL12880724 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL14723992 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL24285697 | 0.75 | — | — | |
| SCHEMBL1947620 | 0.75 | — | — | |
| SCHEMBL1223043 | 0.75 | — | — |
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-2049543-B1 | ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | CALLAGHAN INNOVATION RES LTD (NZ) | 2014-11-05 | — | — | EP | disclosed |
| US-8383636-B2 | Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase | INDUSTRIAL RESEARCH LIMITED (NZ) | 2013-02-26 | — | — | US | disclosed |
| US-8383636-B2 | Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase | INDUSTRIAL RESEARCH LIMITED (NZ) | 2013-02-26 | — | — | US | disclosed |
| US-20110046167-A1 | ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2011-02-24 | — | — | US | disclosed |
| US-20110046167-A1 | ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2011-02-24 | — | — | US | disclosed |
| EP-2049543-A1 | ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | INDUSTRIAL RESEARCH LIMITED (NZ) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008030118-A1 | ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | INDUSTRIAL RESEARCH LIMITED (NZ) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030118-A1 | ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE | INDUSTRIAL RESEARCH LIMITED (NZ) | 2008-03-13 | — | — | WO | disclosed |