⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25659233 | 0.98 | — | — | |
| SCHEMBL25513416 | 0.83 | MEN1 (0.33) | — | |
| SCHEMBL22815013 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL24827833 | 0.79 | ATM (0.31) | — | |
| SCHEMBL8055145 | 0.79 | — | — | |
| SCHEMBL25477376 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL22815002 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL18133851 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL24827797 | 0.76 | ATM (0.32) | — | |
| SCHEMBL24828018 | 0.76 | CYP2D6 (0.36) | — |
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-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |