⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13054402 | 0.85 | — | — | |
| SCHEMBL12795957 | 0.80 | KDM5B (0.31) | — | |
| SCHEMBL12795954 | 0.80 | KDM5B (0.31) | — | |
| SCHEMBL10093818 | 0.78 | KDM5B (0.31) | — | |
| SCHEMBL25467513 | 0.75 | — | — | |
| SCHEMBL12398683 | 0.75 | KDM5B (0.31) | — | |
| SCHEMBL27455610 | 0.74 | HTT (0.37) | — | |
| SCHEMBL2600739 | 0.74 | GCGR (0.30) | — | |
| SCHEMBL12795977 | 0.72 | GCGR (0.33) | — | |
| SCHEMBL13438489 | 0.72 | KDM4E (0.30) | — |
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-2017106607-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |
| US-20170174653-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | US | disclosed |