⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25293416 | 0.86 | PLK1 (0.31) | — | |
| SCHEMBL21465726 | 0.81 | — | — | |
| SCHEMBL3469250 | 0.76 | MAPK8 (0.30) | — | |
| SCHEMBL27248736 | 0.76 | GHSR (0.31) | — | |
| SCHEMBL21001854 | 0.76 | MAPK8 (0.30) | — | |
| SCHEMBL17713790 | 0.76 | PRKAG1 (0.31) | — | |
| SCHEMBL31140732 | 0.73 | DPYD (0.31) | — | |
| SCHEMBL28881758 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL29218326 | 0.71 | IRAK4 (0.35) | — | |
| SCHEMBL3476918 | 0.71 | — | — |
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 |