⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22948703 | 1.00 | — | — | |
| SCHEMBL21283106 | 0.77 | — | — | |
| SCHEMBL19427229 | 0.77 | TDP1 (0.33) | — | |
| SCHEMBL27050628 | 0.77 | — | — | |
| SCHEMBL25606057 | 0.75 | — | — | |
| SCHEMBL24770649 | 0.72 | — | — | |
| SCHEMBL22131614 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL583105 | 0.71 | — | — | |
| SCHEMBL22477375 | 0.70 | — | — | |
| SCHEMBL19677002 | 0.70 | — | — |
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-3753941-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Blueray Biopharma Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |