⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16508357 | 0.83 | — | — | |
| SCHEMBL2368845 | 0.78 | — | — | |
| SCHEMBL16432395 | 0.77 | — | — | |
| SCHEMBL27614610 | 0.77 | — | — | |
| SCHEMBL16432394 | 0.77 | — | — | |
| SCHEMBL14384161 | 0.75 | — | — | |
| SCHEMBL28885492 | 0.75 | — | — | |
| SCHEMBL7107889 | 0.75 | — | — | |
| SCHEMBL28746383 | 0.75 | — | — | |
| Tribromoacetic Acid SCHEMBL1331874 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |