⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21287452 | 0.71 | — | — | |
| SCHEMBL20669324 | 0.68 | OPRM1 (0.33) | — | |
| SCHEMBL5904396 | 0.58 | — | — | |
| SCHEMBL18614452 | 0.57 | — | — | |
| SCHEMBL21287273 | 0.55 | — | — | |
| SCHEMBL21088130 | 0.55 | — | — | |
| SCHEMBL23535732 | 0.55 | — | — | |
| SCHEMBL18461890 | 0.48 | — | — | |
| SCHEMBL25326513 | 0.48 | — | — | |
| SCHEMBL12212857 | 0.46 | — | — |
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-2021127166-A1 | INHIBITORS OF ENL/AF9 YEATS | THE ROCKEFELLER UNIVERSITY (US) | 2021-06-24 | — | — | WO | disclosed |