⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2353333 | 0.68 | — | — | |
| SCHEMBL2192806 | 0.65 | — | — | |
| SCHEMBL30696109 | 0.64 | — | — | |
| SCHEMBL30874385 | 0.64 | — | — | |
| SCHEMBL28829629 | 0.61 | — | — | |
| SCHEMBL27482915 | 0.59 | — | — | |
| SCHEMBL31226927 | 0.53 | — | — | |
| SCHEMBL30084894 | 0.53 | — | — | |
| SCHEMBL31094940 | 0.50 | — | — | |
| Ethane SCHEMBL27385968 | 0.46 | ALOX15 (0.88) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5151418-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-09-29 | — | — | US | claimed |
| US-8017611-B2 | Pyridine and pyrazine derivatives -083 | ASTRAZENECA AB (SE) | 2011-09-13 | — | — | US | disclosed |
| US-20090118305-A1 | PYRIDINE AND PYRAZINE DERIVATIVES - 083 | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| EP-1590358-A1 | 9-KETOSPINOSYN DERIVATIVES | Bayer CropScience Aktiengesellschaft (DE) | 2005-11-02 | — | — | EP | disclosed |
| WO-2004065402-A1 | 9-KETOSPINOSYN DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-08-05 | — | — | WO | disclosed |
| US-5183902-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-02-02 | — | — | US | disclosed |
| US-5151418-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-09-29 | — | — | US | disclosed |
| US-5068231-A | Ureas and thioureas for relaxing muscles | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-11-26 | — | — | US | disclosed |
| US-4956359-A | CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES | A. H. ROBINS COMPANY, INC. (US) | 1990-09-11 | — | — | US | disclosed |
| US-4134890-A | 2-Aryl-2-[ω-(diisopropylamino)alkyl]-ω-(azabicycloalkyl)alkanamides | G. D. SEARLE & CO. (US) | 1979-01-16 | — | — | US | disclosed |