⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30586002 | 0.83 | NAAA (0.32) | — | |
| SCHEMBL9175085 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL340771 | 0.83 | — | — | |
| SCHEMBL10380732 | 0.78 | — | — | |
| SCHEMBL23174626 | 0.76 | — | — | |
| SCHEMBL4597101 | 0.76 | POLB (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL11556496 | 0.76 | — | — | |
| SCHEMBL1901109 | 0.72 | — | — | |
| SCHEMBL5838798 | 0.72 | — | — | |
| Bicarbonate SCHEMBL9447127 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602160-A | MUSCLE RELAXANT | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1997-02-11 | — | — | US | disclosed |
| US-5498619-A | MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0414391-B1 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5338857-A | Muscle relaxant | MITSUI TOATSU CHEMICALS INCORPORATED (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |