⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15080714 | 0.90 | CYP1A2 (0.53) | — | |
| SCHEMBL12016538 | 0.78 | OPRD1 (0.58) | — | |
| SCHEMBL4591150 | 0.77 | CYP1A2 (0.73) | — | |
| SCHEMBL4577159 | 0.77 | CYP1A2 (0.73) | — | |
| SCHEMBL5078483 | 0.77 | CYP1A2 (0.73) | — | |
| SCHEMBL15368362 | 0.73 | CYP1A2 (0.58) | — | |
| SCHEMBL12016540 | 0.73 | CYP1A2 (0.60) | — | |
| SCHEMBL6934885 | 0.73 | CYP1A2 (0.51) | — | |
| SCHEMBL13440481 | 0.73 | OPRD1 (0.64) | — | |
| SCHEMBL6934879 | 0.73 | CYP1A2 (0.51) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8476280-B2 | Modulate contraction, relaxation of muscles | VERSI GROUP, LLC (US) | 2013-07-02 | — | — | US | disclosed |
| US-8476280-B2 | Modulate contraction, relaxation of muscles | VERSI GROUP, LLC (US) | 2013-07-02 | — | — | US | disclosed |