⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL536652 | 0.73 | — | — | |
| SCHEMBL3660523 | 0.73 | — | — | |
| SCHEMBL503574 | 0.71 | — | — | |
| SCHEMBL471818 | 0.71 | — | — | |
| SCHEMBL27467419 | 0.71 | — | — | |
| SCHEMBL9807079 | 0.67 | — | — | |
| SCHEMBL8467887 | 0.67 | — | — | |
| SCHEMBL10958911 | 0.67 | — | — | |
| SCHEMBL1685033 | 0.67 | — | — | |
| SCHEMBL11871573 | 0.67 | ALDH1A1 (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150673-A4 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | NEWLAXANT L L C (US) | 2002-04-24 | — | — | EP | disclosed |
| EP-1150673-A1 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | Newlaxant, L.L.C. (US) | 2001-11-07 | — | — | EP | disclosed |
| US-6274623-B1 | DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |
| US-6274757-B1 | REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |
| EP-1025099-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | Gyermek, Laszlo (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-2000044377-A1 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | NEWLAXANT, L.L.C. (US) | 2000-08-03 | — | — | WO | disclosed |
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |
| WO-1999021854-A1 | BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS | NEWLAXANT LLC (US) | 1999-05-06 | — | — | WO | disclosed |