⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25710431 | 0.78 | — | — | |
| SCHEMBL18944410 | 0.74 | TAS1R3 (0.33) | — | |
| SCHEMBL28290723 | 0.74 | — | — | |
| SCHEMBL28393391 | 0.72 | — | — | |
| SCHEMBL14616046 | 0.71 | — | — | |
| SCHEMBL18944409 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL18951809 | 0.68 | — | — | |
| SCHEMBL9846180 | 0.67 | — | — | |
| SCHEMBL24774223 | 0.67 | — | — | |
| SCHEMBL1485955 | 0.67 | BACE1 (0.34) | — |
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-3057951-B1 | METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T | JANSSEN PHARMACEUTICA NV (BE) | 2019-11-20 | — | — | EP | disclosed |