⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29093387 | 0.75 | ESR2 (0.30) | — | |
| SCHEMBL10894123 | 0.68 | PDE4A (0.33) | — | |
| SCHEMBL8741460 | 0.66 | TLR4 (0.34) | — | |
| SCHEMBL27577742 | 0.64 | — | — | |
| SCHEMBL28845424 | 0.62 | — | — | |
| SCHEMBL27577840 | 0.61 | — | — | |
| SCHEMBL11042070 | 0.60 | PDE4A (0.31) | — | |
| SCHEMBL6249751 | 0.60 | CYP19A1 (0.32) | — | |
| SCHEMBL27595963 | 0.60 | — | — | |
| SCHEMBL27580970 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4163063-A | MUSCLE RELAXANTS | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 1979-07-31 | — | — | US | disclosed |