⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18936011 | 0.47 | — | — | |
| SCHEMBL14830745 | 0.47 | — | — | |
| SCHEMBL449059 | 0.47 | — | — | |
| SCHEMBL4454206 | 0.45 | — | — | |
| Fluoride SCHEMBL31441110 | 0.38 | — | — | |
| Oxirane SCHEMBL973217 | 0.36 | — | — | |
| Oxirane SCHEMBL3587 | 0.36 | — | — | |
| Oxirane SCHEMBL8094696 | 0.36 | TTR (0.83) | — | |
| SCHEMBL27530 | 0.36 | — | — | |
| Oxirane SCHEMBL11492072 | 0.36 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9688643-B2 | Triazine derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2017-06-27 | — | — | US | disclosed |
| EP-2604260-B1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SHIONOGI & CO (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-20160185736-A1 | NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. | 2016-06-30 | — | — | US | disclosed |
| US-20160052892-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO (JP) | 2016-02-25 | — | — | US | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-9150546-B2 | Triazine derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-10-06 | — | — | US | disclosed |
| US-8575197-B2 | Pyrolinone derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2013-11-05 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| EP-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| US-RE43858-E1 | Substituted cycloalkene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-12-11 | — | — | US | disclosed |
| EP-1935879-A1 | SUBSTITUTED CYCLOALKENE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2008-06-25 | — | — | EP | disclosed |
| US-20070197393-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES | WITSCHEL MATTHIAS | 2007-08-23 | — | — | US | disclosed |
| EP-1163240-B1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-7115545-B1 | Tricyclic benzoylpyrazole derivatives used as a herbicide | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-03 | — | — | US | disclosed |
| EP-1181295-B1 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AG (DE) | 2004-02-18 | — | — | EP | disclosed |
| US-6583089-B1 | Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-24 | — | — | US | disclosed |
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| EP-1163240-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000055158-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-21 | — | — | WO | disclosed |