⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8830953 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL68171 | 0.78 | — | — | |
| SCHEMBL3969311 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL9613797 | 0.75 | — | — | |
| SCHEMBL27789625 | 0.75 | — | — | |
| SCHEMBL3283077 | 0.73 | ALOX5 (0.45) | — | |
| SCHEMBL31443083 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL9613929 | 0.73 | — | — | |
| SCHEMBL9912431 | 0.71 | — | — | |
| SCHEMBL5264334 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2845592-A1 | Benzoxazepin PI3K inhibitor compounds and methods of use | F. Hoffmann-La Roche AG (CH) | 2015-03-11 | — | — | EP | disclosed |
| EP-2711368-A1 | Benzoxazepin PI3K inhibitor compounds and methods of use | F. Hoffmann-La Roche AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| EP-1689384-A4 | COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY | CONCAT LP (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1689384-A1 | COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY | Concat LP (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005053674-A1 | COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY | CONCAT LP (US) | 2005-06-16 | — | — | WO | disclosed |
| US-20050112066-A1 | Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity | CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) | 2005-05-26 | — | — | US | disclosed |
| EP-1261349-A4 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CHELATOR LLC (US) | 2004-09-01 | — | — | EP | disclosed |
| US-20040006055-A1 | Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements | CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) | 2004-01-08 | — | — | US | disclosed |
| WO-2003105827-A1 | NEUROPROTECTION AND CARDIOPROTECTION AFFORDED BY CHELATORS WITH HIGH AFFINITY AND SPECIFICITY FOR CATIONS OF FIRST TRANSITION SERIES ELEMENTS | CONCAT, LTD. (US) | 2003-12-24 | — | — | WO | disclosed |
| EP-1261349-A1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CONCAT, LTD. (US) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062262-A1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CONCAT, LTD. (US) | 2001-08-30 | — | — | WO | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |
| US-5015763-A | N-methyl-α-dialkylamioacetohydroxamic acid compound | FUJI PHOTO FILM CO., LTD. (JP) | 1991-05-14 | — | — | US | disclosed |
| US-4385177-A | Cephalosporins having a carbamoylalkoxyiminoarylacetamido group at 7-position | GLAXO LABORATORIES, LTD. (GB) | 1983-05-24 | — | — | US | disclosed |