⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1221668 | 1.00 | — | — | |
| SCHEMBL4776410 | 0.83 | — | — | |
| SCHEMBL4327793 | 0.69 | PGD (0.31) | — | |
| SCHEMBL16207919 | 0.69 | PGD (0.31) | — | |
| SCHEMBL1223338 | 0.65 | — | — | |
| SCHEMBL1221671 | 0.65 | — | — | |
| SCHEMBL4327799 | 0.62 | — | — | |
| SCHEMBL1222684 | 0.59 | — | — | |
| SCHEMBL1223043 | 0.58 | — | — | |
| SCHEMBL1947620 | 0.58 | — | — |
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-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 |