⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14645800 | 0.83 | PDE4B (0.40) | — | |
| SCHEMBL28013344 | 0.79 | PDE4B (0.36) | — | |
| SCHEMBL14645948 | 0.78 | — | — | |
| SCHEMBL28993813 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL14645950 | 0.76 | PTGS1 (0.31) | — | |
| SCHEMBL19313378 | 0.74 | HTR2C (0.31) | — | |
| SCHEMBL18772411 | 0.73 | — | — | |
| SCHEMBL14645974 | 0.72 | TDO2 (0.33) | — | |
| SCHEMBL28779169 | 0.71 | PDE4A (0.35) | — | |
| SCHEMBL15934036 | 0.69 | HTR2C (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2729479-B1 | CATALYSTS | BOREALIS AG (AT) | 2017-09-06 | — | — | EP | disclosed |
| US-9630980-B2 | Asymmetrical ligands | BOREALIS AG (AT) | 2017-04-25 | — | — | US | disclosed |
| US-20160024123-A1 | Asymmetrical Ligands | BOREALIS AG (AT) | 2016-01-28 | — | — | US | disclosed |
| US-9187583-B2 | Catalysts | BOREALIS AG (AT) | 2015-11-17 | — | — | US | disclosed |
| US-20140221584-A1 | CATALYSTS | BOREALIS AG (AT) | 2014-08-07 | — | — | US | disclosed |
| EP-2729479-A1 | CATALYSTS | Borealis AG (AT) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013007650-A1 | CATALYSTS | BOREALIS AG (AT) | 2013-01-17 | — | — | WO | disclosed |