⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4329644 | 0.73 | HCRTR2 (0.30) | — | |
| Acetic Acid SCHEMBL4126300 | 0.72 | APLNR (0.31) | — | |
| Acetic Acid SCHEMBL7676712 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL15254632 | 0.70 | HCRTR2 (0.33) | — | |
| SCHEMBL4337433 | 0.70 | — | — | |
| SCHEMBL9807213 | 0.66 | — | — | |
| SCHEMBL9807214 | 0.66 | — | — | |
| SCHEMBL4656389 | 0.66 | — | — | |
| SCHEMBL1947771 | 0.66 | — | — | |
| SCHEMBL4656234 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |