⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10306252 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL20858047 | 0.83 | CA12 (0.30) | — | |
| SCHEMBL27418848 | 0.82 | — | — | |
| SCHEMBL14288716 | 0.81 | — | — | |
| SCHEMBL18923159 | 0.79 | — | — | |
| SCHEMBL16297551 | 0.79 | — | — | |
| SCHEMBL10306197 | 0.79 | — | — | |
| SCHEMBL16297562 | 0.78 | — | — | |
| SCHEMBL22268686 | 0.78 | CACNA2D1 (0.30) | — | |
| SCHEMBL19314149 | 0.78 | ALDH1A1 (0.39) | — |
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-2023009982-A1 | SMALL MOLECULE INHIBITION OF DEUBIQUITINATING ENZYME JOSEPHIN DOMAIN CONTAINING 1 (JOSD1) AS A TARGETED THERAPY FOR LEUKEMIAS WITH MUTANT JANUS KINASE 2 (JAK2) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-02-02 | — | — | WO | disclosed |