⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24070518 | 0.83 | — | — | |
| SCHEMBL24070528 | 0.77 | BDKRB2 (0.32) | — | |
| SCHEMBL21741242 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL24707740 | 0.71 | DRD4 (0.31) | — | |
| SCHEMBL14885194 | 0.69 | — | — | |
| SCHEMBL24373541 | 0.68 | HSD17B10 (0.31) | — | |
| SCHEMBL19226304 | 0.68 | DRD4 (0.31) | — | |
| SCHEMBL25072300 | 0.67 | — | — | |
| SCHEMBL5512535 | 0.65 | — | — | |
| SCHEMBL15730437 | 0.65 | — | — |
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-2021239058-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-12-02 | — | — | WO | disclosed |