⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5394230 | 1.00 | — | — | |
| SCHEMBL1081850 | 1.00 | — | — | |
| SCHEMBL7910245 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL9141514 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL2455796 | 0.73 | — | — | |
| SCHEMBL1663681 | 0.73 | — | — | |
| SCHEMBL1661673 | 0.73 | — | — | |
| SCHEMBL526666 | 0.72 | — | — | |
| SCHEMBL3719824 | 0.72 | — | — | |
| SCHEMBL835926 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016133832-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-25 | — | — | WO | claimed |
| WO-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | claimed |
| US-20110257181-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-10-20 | — | — | US | claimed |
| EP-2367815-A1 | PYRIDAZINONE DERIVATIVES | Merck Patent GmbH (DE) | 2011-09-28 | — | — | EP | claimed |
| WO-2010072296-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-07-01 | — | — | WO | claimed |
| WO-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |
| EP-2367815-B1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-01-14 | — | — | EP | disclosed |
| US-8637518-B2 | Pyridazinone derivatives | MERCK PATENT GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20110257181-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2011-10-20 | — | — | US | disclosed |
| EP-2367815-A1 | PYRIDAZINONE DERIVATIVES | Merck Patent GmbH (DE) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010072296-A1 | PYRIDAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-07-01 | — | — | WO | disclosed |
| US-20030022881-A1 | Novel carbapenem derivatives of quarternary salt type | MEIJI SEIKA KAISHA, LTD. (JP) | 2003-01-30 | — | — | US | disclosed |