⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26228236 | 0.79 | — | — | |
| SCHEMBL1453979 | 0.74 | — | — | |
| SCHEMBL1455390 | 0.74 | — | — | |
| SCHEMBL22110174 | 0.74 | — | — | |
| SCHEMBL23609197 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL22771739 | 0.72 | — | — | |
| SCHEMBL6672939 | 0.72 | — | — | |
| SCHEMBL10155814 | 0.72 | — | — | |
| SCHEMBL9388729 | 0.72 | — | — | |
| SCHEMBL1454469 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021133601-A1 | THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-07-01 | — | — | WO | disclosed |
| WO-2019135920-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-07-11 | — | — | WO | disclosed |