⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21311210 | 0.92 | — | — | |
| SCHEMBL22837883 | 0.78 | ADORA3 (0.37) | — | |
| SCHEMBL21311217 | 0.78 | ADORA2A (0.47) | — | |
| SCHEMBL22837900 | 0.77 | ADORA3 (0.36) | — | |
| SCHEMBL23025515 | 0.77 | ADORA3 (0.53) | — | |
| SCHEMBL25521510 | 0.77 | ADORA3 (0.53) | — | |
| SCHEMBL21311216 | 0.77 | ADORA2A (0.47) | — | |
| SCHEMBL22837884 | 0.77 | GMPS (0.34) | — | |
| SCHEMBL21311195 | 0.76 | EGFR (0.44) | — | |
| SCHEMBL21311207 | 0.76 | — | — |
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-2018075947-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-04-26 | — | — | WO | disclosed |