⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL241276 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL8075948 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL1232220 | 0.74 | — | — | |
| SCHEMBL8673203 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL846936 | 0.72 | — | — | |
| SCHEMBL11006454 | 0.72 | — | — | |
| SCHEMBL8077205 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL8077204 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL514235 | 0.72 | — | — | |
| SCHEMBL16404826 | 0.72 | — | — |
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-20050020544-A1 | Bicyclic CB2 cannabinoid receptor ligands | PHARMOS CORPORATION | 2005-01-27 | — | — | US | disclosed |