⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21157254 | 1.00 | — | — | |
| SCHEMBL26467472 | 0.78 | — | — | |
| SCHEMBL21859731 | 0.78 | — | — | |
| SCHEMBL22887632 | 0.78 | — | — | |
| SCHEMBL92497 | 0.78 | — | — | |
| SCHEMBL18898378 | 0.75 | — | — | |
| SCHEMBL20942703 | 0.75 | CACNA2D1 (0.34) | — | |
| SCHEMBL21016892 | 0.75 | CACNA2D1 (0.34) | — | |
| SCHEMBL21567148 | 0.75 | NCF1 (0.37) | — | |
| SCHEMBL24611447 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020247546-A1 | ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE | BIOINTERVENE, INC. (US) | 2020-12-10 | — | — | WO | disclosed |