⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28139054 | 0.98 | — | — | |
| SCHEMBL18776372 | 0.79 | NOTUM (0.32) | — | |
| SCHEMBL28045914 | 0.71 | BCAT2 (0.42) | — | |
| SCHEMBL18060822 | 0.64 | — | — | |
| SCHEMBL3054450 | 0.64 | BRD4 (0.32) | — | |
| SCHEMBL22601496 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL26062137 | 0.62 | PARP1 (0.36) | — | |
| SCHEMBL28360828 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL24500531 | 0.61 | PARP1 (0.31) | — | |
| SCHEMBL24249640 | 0.61 | ALDH1A1 (0.35) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10640507-B2 | PBD antibacterial agents | KING'S COLLEGE LONDON (GB) | 2020-05-05 | — | — | US | claimed |
| EP-2379523-A1 | 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS | Incyte Corporation (US) | 2011-10-26 | — | — | EP | claimed |
| WO-2010075270-A1 | 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS | INCYTE CORPORATION (US) | 2010-07-01 | — | — | WO | claimed |
| CN-108658816-B | N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides | 拜尔农作物科学股份公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-109456324-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-04-22 | — | — | CN | disclosed |
| CN-108276358-B | N-arylamidine substituted trifluoroethyl sulfide derivatives as acaricides and insecticides | 拜尔农作物科学股份公司 | 2021-11-02 | — | — | CN | disclosed |
| US-10428080-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2019-10-01 | — | — | US | disclosed |
| CN-105431422-B | Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2019-08-30 | — | — | CN | disclosed |
| CN-109456324-A | New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-12 | — | — | CN | disclosed |
| CN-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |
| US-20180244682-A1 | TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2018-08-30 | — | — | US | disclosed |
| CN-106674196-A | Pyrrole compounds, method of preparing same and pharmaceutical compositions containing them | 法国施维雅药厂 | 2017-05-17 | — | — | CN | disclosed |
| CN-106674201-A | Pyrrole compounds, method of preparing same and pharmaceutical compositions containing the compounds | 法国施维雅药厂 | 2017-05-17 | — | — | CN | disclosed |
| US-20160376283-A1 | TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-12-29 | — | — | US | disclosed |
| US-9393247-B2 | Heteroaryl derivatives as alpha7 nAChR modulators | LUPIN LIMITED (IN) | 2016-07-19 | — | — | US | disclosed |
| US-20150231143-A1 | Heteroaryl Derivatives as Alpha7 NACHR Modulators | LUPIN LIMITED (IN) | 2015-08-20 | — | — | US | disclosed |
| EP-2729455-A1 | BIARYL DERIVATIVES AS NACHR MODULATORS | Lupin Limited (IN) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013005153-A1 | BIARYL DERIVATIVES AS NACHR MODULATORS | LUPIN LIMITED (IN) | 2013-01-10 | — | — | WO | disclosed |
| EP-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |