⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2593590 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL471815 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL5963580 | 0.70 | — | — | |
| SCHEMBL726977 | 0.69 | — | — | |
| SCHEMBL726978 | 0.69 | — | — | |
| SCHEMBL5708939 | 0.69 | TDP1 (0.35) | — | |
| SCHEMBL2876785 | 0.69 | — | — | |
| SCHEMBL235177 | 0.67 | — | — | |
| SCHEMBL14616097 | 0.67 | — | — | |
| SCHEMBL9722524 | 0.67 | GABRR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828183-A1 | SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-06-02 | — | — | EP | disclosed |