⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2759566 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22575365 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22575364 | 0.97 | — | — | |
| SCHEMBL562702 | 0.90 | KDM1A (0.63) | — | |
| SCHEMBL562701 | 0.90 | KDM1A (0.63) | — | |
| SCHEMBL12951512 | 0.87 | KDM1A (0.60) | — | |
| SCHEMBL428790 | 0.87 | KDM1A (0.46) | — | |
| SCHEMBL12082977 | 0.87 | KDM1A (0.60) | — | |
| SCHEMBL428791 | 0.87 | KDM1A (0.46) | — | |
| SCHEMBL13624704 | 0.85 | KDM1A (0.71) | — |
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-3191483-B1 | COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF | NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) | 2020-06-10 | — | — | EP | disclosed |
| WO-2014195919-A1 | ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2014-12-11 | — | — | WO | disclosed |