⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11742582 | 0.81 | — | — | |
| SCHEMBL6902610 | 0.77 | — | — | |
| Hydrogen Peroxide SCHEMBL29031161 | 0.74 | — | — | |
| SCHEMBL8215344 | 0.70 | — | — | |
| SCHEMBL28457639 | 0.67 | — | — | |
| SCHEMBL28301909 | 0.67 | — | — | |
| SCHEMBL13646743 | 0.67 | — | — | |
| SCHEMBL29155557 | 0.64 | HSD11B1 (0.33) | — | |
| SCHEMBL28574955 | 0.63 | — | — | |
| SCHEMBL28678028 | 0.63 | — | — |
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-4062862-A | MUSCLE RELAXANT | NIPPON CHEMIPHAR CO., LTD. (JA) | 1977-12-13 | — | — | US | disclosed |