⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17607718 | 0.79 | — | — | |
| SCHEMBL598909 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL19318075 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL17607555 | 0.74 | — | — | |
| SCHEMBL8635501 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL2638803 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL5071930 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL10445899 | 0.74 | — | — | |
| SCHEMBL22294036 | 0.74 | — | — | |
| Bromide SCHEMBL3772975 | 0.72 | CA1 (0.30) | — |
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-9732061-B2 | Cinnoline derivatives useful as CB-1 receptor inverse agonists | JANSSEN PHARMACEUTICA NV (BE) | 2017-08-15 | — | — | US | disclosed |