⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20931344 | 0.73 | — | — | |
| SCHEMBL14210117 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL6947313 | 0.67 | — | — | |
| SCHEMBL19908751 | 0.67 | — | — | |
| SCHEMBL25360852 | 0.67 | AKR1C3 (0.38) | — | |
| SCHEMBL20714648 | 0.66 | — | — | |
| SCHEMBL790627 | 0.66 | — | — | |
| SCHEMBL22215514 | 0.65 | — | — | |
| SCHEMBL22456721 | 0.65 | — | — | |
| SCHEMBL13062900 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200276199-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS | PHARMACYCLICS LLC | 2020-09-03 | — | — | US | disclosed |