⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2051934 | 0.60 | — | — | |
| SCHEMBL29103257 | 0.59 | — | — | |
| SCHEMBL165813 | 0.56 | — | — | |
| SCHEMBL2505127 | 0.56 | — | — | |
| SCHEMBL29257177 | 0.55 | — | — | |
| SCHEMBL5089685 | 0.55 | — | — | |
| SCHEMBL4753850 | 0.54 | TSHR (0.50) | — | |
| SCHEMBL29824754 | 0.53 | — | — | |
| SCHEMBL12197617 | 0.49 | — | — | |
| SCHEMBL29151811 | 0.49 | — | — |
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-2019200120-A1 | DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS | LYCERA CORPORATION (US) | 2019-10-17 | — | — | WO | disclosed |