⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5534044 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29655572 | 0.77 | — | — | |
| SCHEMBL13072768 | 0.76 | — | — | |
| SCHEMBL18791110 | 0.75 | — | — | |
| SCHEMBL6716345 | 0.72 | — | — | |
| SCHEMBL2852402 | 0.72 | — | — | |
| SCHEMBL2883405 | 0.71 | — | — | |
| SCHEMBL1745887 | 0.70 | — | — | |
| SCHEMBL8347828 | 0.70 | — | — | |
| SCHEMBL23501901 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008112674-A1 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2008-09-18 | — | — | WO | disclosed |