⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24530174 | 1.00 | — | — | |
| SCHEMBL6715928 | 0.72 | — | — | |
| SCHEMBL14749922 | 0.72 | — | — | |
| SCHEMBL146924 | 0.72 | — | — | |
| SCHEMBL6605109 | 0.70 | — | — | |
| SCHEMBL22450083 | 0.70 | — | — | |
| SCHEMBL1780482 | 0.70 | — | — | |
| SCHEMBL10661880 | 0.70 | — | — | |
| SCHEMBL2508279 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL17205497 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230065740-A1 | CYCLIN-DEPENDENT KINASE INHIBITORS | SPV THERAPEUTICS INC. | 2023-03-02 | — | — | US | disclosed |
| US-11214568-B2 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-01-04 | — | — | US | disclosed |
| US-20200199114-A1 | GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-06-25 | — | — | US | disclosed |