⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5700448 | 0.84 | — | — | |
| SCHEMBL31247415 | 0.77 | — | — | |
| SCHEMBL526349 | 0.77 | — | — | |
| SCHEMBL13368239 | 0.73 | — | — | |
| SCHEMBL21523677 | 0.73 | — | — | |
| SCHEMBL23380402 | 0.73 | — | — | |
| SCHEMBL5700228 | 0.73 | — | — | |
| SCHEMBL5700051 | 0.73 | — | — | |
| SCHEMBL15428265 | 0.72 | HDAC8 (0.37) | — | |
| SCHEMBL29956769 | 0.72 | HDAC8 (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8946260-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-02-03 | — | — | US | disclosed |
| US-20140045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-02-13 | — | — | US | disclosed |
| EP-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| CN-103108871-A | 17a-hydroxylase/c17,20-lyase inhibitors | NOVARTIS AG | 2013-05-15 | — | — | CN | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |
| EP-1270582-B1 | TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES | MITSUBISHI RAYON CO (JP) | 2006-08-30 | — | — | EP | disclosed |
| US-6693210-B2 | USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS | MITSUBISHI RAYON CO., LTD. (JP) | 2004-02-17 | — | — | US | disclosed |
| US-20030065208-A1 | Using palladium, nickel phosphine complex as catalysts | MITSUBISHI RAYON CO., LTD. (JP) | 2003-04-03 | — | — | US | disclosed |
| EP-1270582-A1 | TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE | Mitsubishi Rayon Co., Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |