⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685530 | 1.00 | — | — | |
| SCHEMBL1685529 | 1.00 | — | — | |
| SCHEMBL10231014 | 0.78 | — | — | |
| SCHEMBL16712830 | 0.76 | — | — | |
| SCHEMBL21608960 | 0.72 | — | — | |
| SCHEMBL14431439 | 0.72 | — | — | |
| SCHEMBL24554671 | 0.71 | — | — | |
| SCHEMBL806595 | 0.71 | — | — | |
| SCHEMBL19013973 | 0.71 | — | — | |
| SCHEMBL13959788 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2847198-B1 | TETRAHYDRO[1,8]NAPHTHYRIDINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR-GAMMA AND THE TREATMENT OF DISEASE | LYCERA CORP (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015160665-A1 | METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2015-10-22 | — | — | WO | disclosed |
| US-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| WO-2013152063-A1 | NAPHTHYRIDINONE DERIVATIVES AS INHIBITORS OF CYTOMEGALOVIRUS DNA POLYMERASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-10 | — | — | WO | disclosed |
| WO-2012116237-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, LLC (US) | 2012-08-30 | — | — | WO | disclosed |
| WO-2012076435-A1 | PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 | GLAXO GROUP LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2062878-A1 | HYDRAZINE AMIDE DERIVATIVE | Shionogi&Co., Ltd. (JP) | 2009-05-27 | — | — | EP | disclosed |