⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21311421 | 0.92 | DOT1L (0.58) | — | |
| SCHEMBL20097203 | 0.89 | — | — | |
| SCHEMBL21311465 | 0.88 | NNMT (0.54) | — | |
| SCHEMBL21311466 | 0.87 | DOT1L (0.51) | — | |
| SCHEMBL21311165 | 0.75 | DOT1L (0.69) | — | |
| SCHEMBL20096725 | 0.75 | DOT1L (0.52) | — | |
| SCHEMBL20097057 | 0.75 | DOT1L (0.54) | — | |
| SCHEMBL20097211 | 0.74 | ATM (0.53) | — | |
| SCHEMBL2295202 | 0.74 | ABCB1 (0.66) | — | |
| SCHEMBL20096930 | 0.74 | DOT1L (0.60) | — |
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 |