⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5752923 | 0.72 | HTR2A (0.34) | — | |
| SCHEMBL2860480 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL7753185 | 0.63 | CYP2D6 (0.30) | — | |
| SCHEMBL2045879 | 0.62 | RBP4 (0.37) | — | |
| SCHEMBL2009226 | 0.62 | CYP2B6 (0.43) | — | |
| SCHEMBL11221810 | 0.61 | CA1 (0.33) | — | |
| SCHEMBL2047771 | 0.61 | HTR2C (0.44) | — | |
| SCHEMBL2051240 | 0.61 | NOTUM (0.38) | — | |
| SCHEMBL2050408 | 0.61 | OPRL1 (0.35) | — | |
| SCHEMBL5075574 | 0.58 | PTGDR2 (0.46) | — |
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 3 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 |
| WO-2000044377-A1 | MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS | NEWLAXANT, L.L.C. (US) | 2000-08-03 | — | — | WO | disclosed |