⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30397815 | 0.98 | — | — | |
| SCHEMBL20773318 | 0.98 | — | — | |
| SCHEMBL18769472 | 0.96 | AKT1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL18742641 | 0.94 | AKT1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29857983 | 0.94 | AKT1 (0.42) | — | |
| SCHEMBL11971740 | 0.92 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL23778490 | 0.90 | ALDH1A1 (0.39) | — | |
| SCHEMBL31158371 | 0.83 | OPRM1 (0.41) | — | |
| SCHEMBL23647413 | 0.83 | OPRM1 (0.41) | — | |
| SCHEMBL29218693 | 0.82 | KDM1A (0.42) | — |
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 8 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 |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-8129411-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| EP-2420491-A1 | 3 , 5-substitued piperidine compounds as renin inhibitors | Novartis AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |
| US-20090192148-A1 | Organic Compounds | NOVARTIS AG (CH) | 2009-07-30 | — | — | US | disclosed |