⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12785468 | 0.86 | CYP3A4 (0.31) | — | |
| SCHEMBL3748183 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL24228227 | 0.71 | — | — | |
| SCHEMBL14136470 | 0.71 | — | — | |
| SCHEMBL6019555 | 0.71 | — | — | |
| SCHEMBL4885925 | 0.67 | — | — | |
| SCHEMBL19860152 | 0.67 | — | — | |
| SCHEMBL10110535 | 0.67 | — | — | |
| SCHEMBL14749818 | 0.67 | — | — | |
| SCHEMBL10119789 | 0.67 | — | — |
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-2020140055-A1 | CYCLIN-DEPENDENT KINASE INHIBITORS | SPV THERAPEUTICS INC. (US) | 2020-07-02 | — | — | WO | disclosed |