⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL324166 | 0.78 | — | — | |
| SCHEMBL1279845 | 0.76 | — | — | |
| SCHEMBL15920605 | 0.76 | — | — | |
| SCHEMBL348762 | 0.76 | — | — | |
| SCHEMBL16809934 | 0.76 | KCNH2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5191443 | 0.74 | — | — | |
| SCHEMBL294282 | 0.74 | — | — | |
| SCHEMBL19430305 | 0.73 | — | — | |
| SCHEMBL178474 | 0.73 | — | — | |
| SCHEMBL17541290 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1901609-A2 | FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES | BASF SE (DE) | 2008-03-26 | — | — | EP | claimed |
| WO-2007003603-A2 | FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-11 | — | — | WO | claimed |
| US-20160221945-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | GENENTECH, INC. (US) | 2016-08-04 | — | — | US | disclosed |
| US-8648075-B2 | Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2014-02-11 | — | — | US | disclosed |
| EP-2312949-B1 | N-HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20130137577-A1 | OXOPYRAZINE DERIVATIVE AND HERBICIDE | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2013-05-30 | — | — | US | disclosed |
| US-8426598-B2 | N-heterocyclic M1 receptor positive allosteric modulators | Merck, Sharp & Dohme, Corp. (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426598-B2 | N-heterocyclic M1 receptor positive allosteric modulators | Merck, Sharp & Dohme, Corp. (US) | 2013-04-23 | — | — | US | disclosed |
| US-20110136863-A1 | N-Heterocyclic M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME LLC | 2011-06-09 | — | — | US | disclosed |
| US-20110136863-A1 | N-Heterocyclic M1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME LLC | 2011-06-09 | — | — | US | disclosed |