⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24451051 | 0.77 | — | — | |
| SCHEMBL24450887 | 0.77 | — | — | |
| SCHEMBL13384019 | 0.72 | — | — | |
| SCHEMBL14049564 | 0.72 | — | — | |
| SCHEMBL12222439 | 0.72 | — | — | |
| SCHEMBL10305819 | 0.70 | — | — | |
| SCHEMBL16639401 | 0.69 | — | — | |
| SCHEMBL23430705 | 0.68 | — | — | |
| SCHEMBL6974046 | 0.68 | — | — | |
| SCHEMBL23313044 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9173892-B2 | Acadesine derivatives, products and compositions including same, therapeutic uses thereof, and methods for synthesizing same | UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) | 2015-11-03 | — | — | US | disclosed |