⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108033 | 1.00 | — | — | |
| SCHEMBL2122362 | 1.00 | — | — | |
| SCHEMBL10781089 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL8373299 | 0.78 | — | — | |
| SCHEMBL16884085 | 0.78 | — | — | |
| SCHEMBL8373300 | 0.78 | — | — | |
| SCHEMBL10774875 | 0.78 | — | — | |
| SCHEMBL1360230 | 0.72 | KDM4E (0.43) | — | |
| SCHEMBL4202350 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL375777 | 0.69 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2867219-B1 | ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION | UNIV CORNELL (US) | 2017-02-15 | — | — | EP | disclosed |
| US-9156826-B2 | Asymmetrical reversible neuromuscular blocking agents of ultra-short, short, or intermediate duration | CORNELL UNIVERSITY (US) | 2015-10-13 | — | — | US | disclosed |
| US-20150191453-A1 | ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION | SOCIETAL CDMO, INC. | 2015-07-09 | — | — | US | disclosed |
| EP-1380573-B1 | Isoquinolines and preparation thereof | AVERA PHARMACEUTICALS INC (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-0971898-B1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | AVERA PHARMACEUTICALS INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1526130-A1 | Substituted isoquinolines as ultra short acting neuromuscular blockers | Avera Pharmaceuticals, Inc. (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-1380573-A2 | Isoquinolines and preparation thereof | Avera Pharmaceuticals, Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-0975599-B1 | SUBTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | AVERA PHARMACEUTICALS INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6187789-B1 | MUSCLE RELAXANTS FOR EMERGENCY INTUBATION AND SURGERY | GLAXO WELLCOME INC. | 2001-02-13 | — | — | US | disclosed |
| US-6177445-B1 | MUSCLE RELAXANTS | GLAXO WELLCOME INC. | 2001-01-23 | — | — | US | disclosed |
| EP-0975599-A1 | SUBTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | GLAXO GROUP LIMITED (GB) | 2000-02-02 | — | — | EP | disclosed |
| EP-0971898-A1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | GLAXO GROUP LIMITED (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042674-A1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | GLAXO GROUP LIMITED (GB) | 1998-10-01 | — | — | WO | disclosed |
| WO-1998042675-A1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | GLAXO GROUP LIMITED (GB) | 1998-10-01 | — | — | WO | disclosed |