⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30181632 | 1.00 | — | — | |
| SCHEMBL23993470 | 1.00 | — | — | |
| SCHEMBL25005312 | 1.00 | — | — | |
| SCHEMBL30181631 | 1.00 | — | — | |
| SCHEMBL25005306 | 0.85 | HTR3A (0.31) | — | |
| SCHEMBL30181808 | 0.85 | HTR3A (0.31) | — | |
| SCHEMBL23994234 | 0.85 | HTR3A (0.31) | — | |
| SCHEMBL23994679 | 0.85 | CYP17A1 (0.31) | — | |
| SCHEMBL23994702 | 0.85 | CYP17A1 (0.31) | — | |
| SCHEMBL30224255 | 0.85 | CYP17A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |