⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22799101 | 1.00 | — | — | |
| SCHEMBL21631653 | 0.80 | — | — | |
| SCHEMBL16914477 | 0.80 | — | — | |
| SCHEMBL29715671 | 0.77 | NAMPT (0.30) | — | |
| SCHEMBL16914259 | 0.66 | NAMPT (0.34) | — | |
| SCHEMBL21631637 | 0.66 | NAMPT (0.34) | — | |
| SCHEMBL21952183 | 0.65 | — | — | |
| SCHEMBL16914450 | 0.65 | DDB1 (0.31) | — | |
| SCHEMBL16914102 | 0.65 | NAMPT (0.33) | — | |
| SCHEMBL1514705 | 0.65 | ACACB (0.39) | — |
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 |