⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23994348 | 1.00 | — | — | |
| SCHEMBL30181703 | 1.00 | — | — | |
| SCHEMBL30224401 | 0.88 | AAK1 (0.33) | — | |
| SCHEMBL25005878 | 0.88 | AAK1 (0.33) | — | |
| SCHEMBL23994758 | 0.86 | — | — | |
| SCHEMBL23995220 | 0.83 | THRA (0.32) | — | |
| SCHEMBL30224480 | 0.83 | THRA (0.32) | — | |
| SCHEMBL23995236 | 0.83 | THRA (0.32) | — | |
| SCHEMBL23993691 | 0.83 | EGFR (0.31) | — | |
| SCHEMBL30224628 | 0.83 | EGFR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4143194-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |