⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25012918 | 0.94 | DOT1L (0.30) | — | |
| SCHEMBL25013598 | 0.91 | — | — | |
| SCHEMBL24149678 | 0.91 | DOT1L (0.31) | — | |
| SCHEMBL30269875 | 0.88 | TMPRSS2 (0.38) | — | |
| SCHEMBL24148618 | 0.88 | TMPRSS2 (0.38) | — | |
| SCHEMBL24149370 | 0.87 | DOT1L (0.31) | — | |
| SCHEMBL24149704 | 0.85 | TMPRSS2 (0.31) | — | |
| SCHEMBL32670178 | 0.85 | TMPRSS2 (0.31) | — | |
| SCHEMBL24149619 | 0.85 | DOT1L (0.32) | — | |
| SCHEMBL24149639 | 0.82 | — | — |
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-20230040586-A1 | 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF | GILEAD SCIENCES, INC. | 2023-02-09 | — | — | US | disclosed |