⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17896055 | 0.86 | HSD11B1 (0.32) | — | |
| SCHEMBL17895983 | 0.83 | PLK1 (0.36) | — | |
| SCHEMBL17895994 | 0.83 | PLK1 (0.36) | — | |
| SCHEMBL17895885 | 0.83 | PLK1 (0.36) | — | |
| SCHEMBL17896048 | 0.83 | USP2 (0.33) | — | |
| SCHEMBL17896046 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL17896107 | 0.77 | USP2 (0.34) | — | |
| SCHEMBL17895841 | 0.72 | ELANE (0.32) | — | |
| SCHEMBL17901949 | 0.71 | — | — | |
| SCHEMBL17895749 | 0.70 | CCNA2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |