⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20057359 | 0.72 | CNR2 (0.39) | — | |
| SCHEMBL20057373 | 0.72 | CNR2 (0.39) | — | |
| SCHEMBL20057514 | 0.60 | CNR2 (0.54) | — | |
| SCHEMBL20057357 | 0.60 | CNR2 (0.54) | — | |
| SCHEMBL14243479 | 0.59 | CNR2 (0.61) | — | |
| SCHEMBL18098815 | 0.59 | CNR2 (0.61) | — | |
| SCHEMBL17126913 | 0.46 | EPHX1 (0.41) | — | |
| SCHEMBL24882692 | 0.45 | SIGMAR1 (0.33) | — | |
| SCHEMBL14037257 | 0.45 | EPHX1 (0.34) | — | |
| Lithium SCHEMBL31187692 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3072886-B1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |