⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9101077 | 0.58 | — | — | |
| SCHEMBL3881256 | 0.57 | — | — | |
| SCHEMBL18656399 | 0.57 | — | — | |
| SCHEMBL21900389 | 0.55 | — | — | |
| SCHEMBL1304605 | 0.54 | — | — | |
| SCHEMBL22628091 | 0.50 | — | — | |
| SCHEMBL526288 | 0.49 | — | — | |
| SCHEMBL22779510 | 0.48 | — | — | |
| SCHEMBL19140811 | 0.48 | — | — | |
| SCHEMBL15450824 | 0.48 | — | — |
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-2021057890-A1 | 2H-BENZOPYRAN DERIVATIVES AS CRAC INHIBITORS | 南京明德新药研发有限公司 | 2021-04-01 | — | — | WO | disclosed |