⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19024049 | 0.75 | — | — | |
| SCHEMBL10054247 | 0.72 | — | — | |
| SCHEMBL16111414 | 0.67 | — | — | |
| SCHEMBL13576367 | 0.67 | — | — | |
| SCHEMBL13576368 | 0.67 | — | — | |
| SCHEMBL17057379 | 0.67 | — | — | |
| SCHEMBL1644953 | 0.66 | — | — | |
| SCHEMBL24175913 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16110971 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16111285 | 0.65 | — | — |
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-2017097732-A1 | PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-15 | — | — | WO | disclosed |