⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24149838 | 0.83 | — | — | |
| SCHEMBL24149140 | 0.80 | — | — | |
| SCHEMBL24149284 | 0.79 | — | — | |
| SCHEMBL24149370 | 0.75 | DOT1L (0.31) | — | |
| SCHEMBL24149678 | 0.74 | DOT1L (0.31) | — | |
| SCHEMBL25608337 | 0.73 | MGLL (0.38) | — | |
| SCHEMBL29566128 | 0.73 | TMPRSS2 (0.32) | — | |
| SCHEMBL30939790 | 0.72 | FAP (0.31) | — | |
| SCHEMBL23822912 | 0.72 | TNK2 (0.35) | — | |
| SCHEMBL12295037 | 0.72 | TNK2 (0.35) | — |
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-2021262826-A2 | 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2021-12-30 | — | — | WO | disclosed |