⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3172000 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3167948 | 0.96 | — | — | |
| SCHEMBL31292756 | 0.96 | — | — | |
| SCHEMBL14737935 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL14738090 | 0.94 | — | — | |
| SCHEMBL1556078 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL22615674 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29425102 | 0.90 | — | — | |
| SCHEMBL5735959 | 0.79 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL3018516 | 0.79 | OPRM1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3148971-A1 | DEUBIQUITINASE INHIBITORS | Pharmakea, Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20170088520-A1 | DEUBIQUITINASE INHIBITORS | PHARMAKEA, INC. | 2017-03-30 | — | — | US | disclosed |
| WO-2015187427-A1 | DEUBIQUITINASE INHIBITORS | PHARMAKEA, INC. (US) | 2015-12-10 | — | — | WO | disclosed |