⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4964109 | 0.62 | — | — | |
| SCHEMBL2348190 | 0.54 | — | — | |
| SCHEMBL77492 | 0.49 | CA2 (0.59) | — | |
| SCHEMBL5074259 | 0.49 | — | — | |
| SCHEMBL1921548 | 0.48 | — | — | |
| SCHEMBL1589682 | 0.47 | — | — | |
| SCHEMBL11578490 | 0.47 | TDP1 (0.33) | — | |
| SCHEMBL40656 | 0.46 | CA2 (0.77) | — | |
| SCHEMBL63871 | 0.46 | TDP1 (0.53) | — | |
| SCHEMBL1943297 | 0.46 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3164130-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | Millennium Pharmaceuticals, Inc. (US) | 2017-05-10 | — | — | EP | disclosed |
| WO-2016004136-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | DUFFEY MATTHEW O (US) | 2016-01-07 | — | — | WO | disclosed |