⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22519434 | 0.79 | — | — | |
| SCHEMBL19851801 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL22519431 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL22697046 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL23263703 | 0.76 | — | — | |
| SCHEMBL19851806 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL22859344 | 0.68 | PDE2A (0.35) | — | |
| SCHEMBL22859494 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL22519418 | 0.68 | — | — | |
| SCHEMBL18799332 | 0.66 | AHR (0.38) | — |
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-20210002256-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-01-07 | — | — | US | disclosed |