⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16191189 | 0.84 | EPHX2 (0.40) | — | |
| SCHEMBL14228901 | 0.78 | — | — | |
| SCHEMBL10584800 | 0.78 | — | — | |
| SCHEMBL13806346 | 0.78 | — | — | |
| SCHEMBL22543442 | 0.78 | — | — | |
| SCHEMBL11903871 | 0.77 | EPHX2 (0.36) | — | |
| SCHEMBL12249660 | 0.74 | — | — | |
| SCHEMBL13745508 | 0.74 | — | — | |
| SCHEMBL11904024 | 0.74 | EPHX2 (0.34) | — | |
| SCHEMBL910738 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130156807-A1 | CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-06-20 | — | — | US | disclosed |