⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3977585 | 1.00 | — | — | |
| SCHEMBL23608992 | 0.79 | — | — | |
| SCHEMBL8882634 | 0.77 | — | — | |
| SCHEMBL1169561 | 0.77 | — | — | |
| SCHEMBL18313727 | 0.76 | MAPT (0.65) | — | |
| SCHEMBL12340062 | 0.76 | MAPT (0.65) | — | |
| SCHEMBL3971730 | 0.72 | ALDH1A1 (0.53) | — | |
| SCHEMBL12307008 | 0.72 | MAPT (0.61) | — | |
| SCHEMBL13226178 | 0.72 | MAPT (0.61) | — | |
| SCHEMBL14433026 | 0.70 | PTGS1 (0.59) | — |
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-1836197-A4 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | UNIV FED (BR) | 2009-07-01 | — | — | EP | claimed |
| US-20080275105-A1 | Selective Muscle Relaxant and Pharmaceutical Compositions | UNIVERSIDADE FEDERAL DO RIO DE JANEIROUFRJ (BR) | 2008-11-06 | — | — | US | claimed |
| EP-1836197-A1 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | Universidade Federal (BR) | 2007-09-26 | — | — | EP | claimed |
| WO-2006017921-A1 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) | 2006-02-23 | — | — | WO | claimed |
| EP-1836197-A4 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | UNIV FED (BR) | 2009-07-01 | — | — | EP | disclosed |
| US-20080275105-A1 | Selective Muscle Relaxant and Pharmaceutical Compositions | UNIVERSIDADE FEDERAL DO RIO DE JANEIROUFRJ (BR) | 2008-11-06 | — | — | US | disclosed |
| EP-1836197-A1 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | Universidade Federal (BR) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006017921-A1 | SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS | UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) | 2006-02-23 | — | — | WO | disclosed |