⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9871802 | 0.89 | L3MBTL1 (0.35) | — | |
| SCHEMBL27793841 | 0.88 | MEN1 (0.41) | — | |
| SCHEMBL9370817 | 0.77 | KDM1A (0.40) | — | |
| SCHEMBL4911969 | 0.77 | L3MBTL1 (0.49) | — | |
| SCHEMBL11058000 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL27551558 | 0.74 | FDPS (0.37) | — | |
| SCHEMBL3626364 | 0.73 | — | — | |
| SCHEMBL577582 | 0.73 | — | — | |
| SCHEMBL27979786 | 0.73 | — | — | |
| SCHEMBL31195668 | 0.72 | KDM1A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104877127-B | A kind of eight arms polyethyleneglycol derivative, preparation method and its bio-related substance of modification | 厦门赛诺邦格生物科技股份有限公司 | 2017-11-10 | — | — | CN | disclosed |
| US-8138340-B2 | Bicyclononene derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-03-20 | — | — | US | disclosed |
| EP-1786814-B1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-03-31 | — | — | EP | disclosed |
| US-20090306123-A1 | Bicyclononene derivaties | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-12-10 | — | — | US | disclosed |
| EP-1786814-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006131884-A2 | THIAZOLE SUBSTITUTED DIAZABICYCLONONANE OR-NONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-14 | — | — | WO | disclosed |
| WO-2006021402-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2006-03-02 | — | — | WO | disclosed |
| CN-1032754-C | Immunostimulating 6-aryl-5,6-dihydroimidazo [2.1-B] thiazole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1996-09-11 | — | — | CN | disclosed |
| CN-1052117-A | Immunostimulating 6-aryl-5,6-glyoxalidine be the preparation method of [2,1-b] thiazole derivative also | JANSSEN PHARMACEUTICA NV (BE) | 1991-06-12 | — | — | CN | disclosed |