⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23011460 | 0.91 | MMP1 (0.42) | — | |
| SCHEMBL6392066 | 0.91 | MMP1 (0.42) | — | |
| SCHEMBL31547122 | 0.91 | MMP1 (0.42) | — | |
| SCHEMBL2055560 | 0.89 | MMP1 (0.44) | — | |
| SCHEMBL5245825 | 0.89 | MMP1 (0.44) | — | |
| SCHEMBL29947147 | 0.85 | PIK3CD (0.36) | — | |
| SCHEMBL23573841 | 0.85 | CPN1 (0.39) | — | |
| SCHEMBL16389046 | 0.82 | ALOX5 (0.31) | — | |
| SCHEMBL19009036 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL30071376 | 0.79 | — | — |
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-20170174653-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | US | disclosed |