⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14721642 | 0.71 | — | — | |
| SCHEMBL498733 | 0.71 | — | — | |
| SCHEMBL2455022 | 0.69 | — | — | |
| SCHEMBL9764727 | 0.69 | — | — | |
| SCHEMBL2455023 | 0.69 | — | — | |
| SCHEMBL3904268 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL11482194 | 0.67 | — | — | |
| Methane SCHEMBL3853543 | 0.67 | — | — | |
| SCHEMBL4032941 | 0.64 | — | — | |
| Fluoromethane SCHEMBL1057461 | 0.64 | — | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017037292-A1 | COMBINATION OF A DHODH INHIBITOR AND A HER INHIBITOR FOR USE IN THE TREATMENT OF CANCER | ASLAN PHARMACEUTICALS PTE LIMITED (SG) | 2017-03-09 | — | — | WO | claimed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | claimed |
| EP-1745033-A4 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORP (US) | 2009-08-26 | — | — | EP | claimed |
| EP-1745039-A4 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | NEUROGEN CORP (US) | 2009-07-22 | — | — | EP | claimed |
| EP-1745024-A4 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORP (US) | 2008-01-09 | — | — | EP | claimed |
| US-20070249665-A1 | 1-aryl-4-substituted isoquinolines | NEUROGEN CORPORATION (US) | 2007-10-25 | — | — | US | claimed |
| EP-1745024-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | claimed |
| EP-1745033-A2 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | claimed |
| EP-1745039-A2 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | Neurogen Corporation (US) | 2007-01-24 | — | — | EP | claimed |
| WO-2006004589-A2 | 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES | NEUROGEN CORPORATION (US) | 2006-01-12 | — | — | WO | claimed |
| WO-2005110416-A2 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | WO | claimed |
| WO-2005110991-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | WO | claimed |
| EP-0943240-B1 | Combinations of herbicides and plant protecting agents | AVENTIS CROPSCIENCE GMBH (DE) | 2001-11-14 | — | — | EP | claimed |
| US-5852013-A | Substituted arylazadioxacyclo alkene fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | claimed |
| EP-3571205-B1 | THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO LTD (CN) | 2023-08-30 | — | — | EP | disclosed |
| CN-116375742-A | Azaaromatic ring derivative, composition and pharmaceutical application thereof | 海思科医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |
| US-10421702-B2 | Method for producing fluorine-containing olefin | AGC Inc. (JP) | 2019-09-24 | — | — | US | disclosed |
| US-20040259880-A1 | Pyrrole compounds and uses thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2004-12-23 | — | — | US | disclosed |
| WO-2004110998-A1 | PYRROLE COMPOUNDS AND USES THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2004-12-23 | — | — | WO | disclosed |
| CN-1041586-A | The preparation method of nitro-phenyl-dihydropyridine amides base | BAYER AG (DE) | 1990-04-25 | — | — | CN | disclosed |