⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14739020 | 0.76 | — | — | |
| SCHEMBL6631853 | 0.76 | — | — | |
| SCHEMBL4778061 | 0.74 | — | — | |
| SCHEMBL3056526 | 0.70 | — | — | |
| SCHEMBL20607524 | 0.70 | — | — | |
| SCHEMBL6259900 | 0.69 | CCR1 (0.44) | — | |
| SCHEMBL467233 | 0.69 | — | — | |
| SCHEMBL2437411 | 0.67 | HTT (0.36) | — | |
| SCHEMBL2305723 | 0.67 | COMT (0.32) | — | |
| SCHEMBL30079559 | 0.67 | COMT (0.32) | — |
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-3191492-B1 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-09 | — | — | EP | claimed |